Table 2.

Mechanism-based compound clusters observed in this and other cell profiling studies

No.Cluster nameCompoundsAPCaGDSCbGSKcNCIdJFCReCTRPf
1BETI-BET-762JQ1yy
2no. 2fluorouracilnutlin 3amm
3purine analogsthioguaninedacarbazinemercaptopurineyyy
4selective ABLmasitinibimatinibnilotinibponatinibyyyyy
5BCL2navitoclaxABT-737yy
6no. 6actinomycin-DPHA-793887mmm
7covalent EGFRafatinibibrutiniby
8ATRAATRAmmy
9Aurora B/CAMG-900tozasertibGSK-1070916ymy
10taxane-likeAT-7519docetaxelICG-001paclitaxelvincristineyyyyy
11VEGFR/PDGFRaxitinibcabozantinibnintedanibpazopanibvatalanibregorafenibsorafenibyyyy
12MEKselumetinibPD-0325901trametinibyyyy
13competitive mTORAZD-8055mm
14FGFRBGJ-398dactolisibm
15PLKBI-2536carfilzomibdinaciclibGSK-461364vinfluninevolasertibyyy
16no. 16BIIB-021epothilone BKU-60019TH-588
17pan-PI3-kinasebuparlisibalpelisibapitolisibpictilisiby
18FGFR4BLU9931m
19proteasomebortezomibmy
20multikinase ABLbosutinibdasatinibvandetaniby
21Aurora AbusulfanMK-5108MLN-8054y
22PI3-kinase β/γ/δidelalisibduvelisibTGX-221yy
23platin-likecarboplatincisplatinmelphalanMK-2206yy
24IGF-1RceritinibGSK-1838705ANVP-ADW742yyyy
25Wee1/CHK1CHIR-124MK-1775SCH-900776y
26no. 27crizotinibcytarabinedanusertibm
27RAFdabrafenibvemurafenibyyy
28topoisomerasedaunorubicindoxorubicinepirubicinetoposideirinotecanmitoxantronetopotecanSN38yyyyy
29HDAC/PARPentinostatpanobinostatolaparibvorinostatyy
30EZH2 no. 1EPZ-005687GSK-343UNC-1999y
31no. 31EPZ-5676temozolomidem
32EZH2 no. 2EPZ-6438GSK-126m
33EGFRerlotinibgefitiniblapatinibneratinibpelitinibyyyyy
34rapalogseverolimustemsirolimusyyyyy
35no. 35venetoclaxroscovitinem
36TTKgemcitabineMPI-0479605NMS-P715y
37no. 37LGK-974momelotinibm
38no. 38methothrexatemmm
39multikinase 3Mps1-IN-1ruxolitinibsunitiniby
40no. 40mitomycin-Cprednisolonem
41CDK 4/6palbociclibm
42FLT3quizartinibm
43no. 43mubritinibm
44gno. 44XAV-939m
  • Light gray (y): Cluster containing at least two compounds with the described biochemical target. Dark gray (m): Cluster reported that contains at least one compound listed under “compounds.”

  • aAlternative (APC) clustering of our data, see Supplementary Table S4A.

  • bBased on APC clustering from GDSC (9).

  • cClustering from GSK (13).

  • dClustering from NCI-60 (4).

  • eClusterings from JFCR (5, 6).

  • fCTRP clusters from their website (11).

  • gFor additional validated clusters described in these works, see Supplementary Table S4C.