SCHEMBL21625798

SCHEMBL21625798

CC(C)(c1ccccc1Nc1nc(Nc2ccc(N3CCN(CC(=O)Oc4c(F)c(F)c(F)c(F)c4F)CC3)cc2)ncc1Cl)[SH](=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.52
▸ CDK2 P24941 4/20 0.52
▸ CCNK O75909 3/20 0.52
▸ CCND3 P30281 3/20 0.52
▸ CDK9 P50750 3/20 0.52
▸ CDK6 Q00534 3/20 0.52
▸ MAP3K7 O43318 5/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ MAP2K1 Q02750 3/20 0.51
▸ EGFR P00533 2/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ ALK Q9UM73 2/20 0.48
▸ MAPK8 P45983 2/20 0.48
▸ MAPK9 P45984 2/20 0.48
▸ MAPK10 P53779 2/20 0.48
▸ INSR P06213 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ PTK2B Q14289 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21625799 0.84 PTK2 (0.66) ALKPTK2
SCHEMBL29904638 0.75 CCNA2 (0.76) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL30395234 0.69 CCNA2 (1.00) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL30394492 0.69 CCNA2 (1.00) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL28459543 0.69 CCNA2 (1.00) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL25480052 0.68 MAP3K7 (0.80) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL13300671 0.68 PKMYT1 (0.70) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL23200452 0.67 CDK2 (0.80) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL25668162 0.67 EGFR (0.81) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL13320642 0.67 MAP3K7 (0.64) CCNA2CDK2CCNKCCND3CDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3823613-A1 DEGRADERS THAT TARGET PROTEINS VIA KEAP1 Dana Farber Cancer Institute, Inc. (US) 2021-05-26 — — EP disclosed
WO-2020018788-A1 DEGRADERS THAT TARGET PROTEINS VIA KEAP1 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-01-23 — — WO disclosed
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