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Sugi Predict / Compounds / SCHEMBL6599784

SCHEMBL6599784

SCHEMBL6599784

Cc1[nH]c(C(N)=O)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1.Cc1cc(Nc2nccc(-c3c(C)[nH]c(C#N)c3C)n2)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.76
▸ CDK4 P11802 11/20 0.76
▸ EIF2AK2 P19525 5/20 0.47
▸ KCNH2 Q12809 1/20 0.40
▸ GSK3B P49841 1/20 0.38
▸ SYK P43405 1/20 0.37

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
SCHEMBL6600525 0.88 CDK2 (0.74) CDK2CDK4EIF2AK2
SCHEMBL4615351 0.87 CDK4 (1.00) CDK2CDK4EIF2AK2
SCHEMBL4616002 0.85 CDK2 (1.00) CDK2CDK4EIF2AK2SYK
SCHEMBL4613384 0.84 CDK2 (1.00) CDK2CDK4EIF2AK2SYK
SCHEMBL6600207 0.83 CDK4 (0.87) CDK2CDK4EIF2AK2
SCHEMBL4613825 0.80 CDK2 (0.85) CDK2CDK4EIF2AK2GSK3B
SCHEMBL4613710 0.76 CDK4 (1.00) CDK2CDK4EIF2AK2
SCHEMBL4613588 0.76 CDK4 (0.78) CDK2CDK4EIF2AK2
SCHEMBL6599785 0.76 CDK2 (0.52) CDK2CDK4EIF2AK2KCNH2GSK3B
SCHEMBL4615069 0.76 CDK4 (0.80) CDK2CDK4EIF2AK2

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-1373253-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT Cyclacel Limited (GB) 2004-01-02 — — EP disclosed
WO-2002079193-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LIMITED (GB) 2002-10-10 — — WO disclosed