SCHEMBL6599374

SCHEMBL6599374

Cc1cc(Nc2nccc(-c3c(C)[nH]c(C#N)c3C)n2)ccc1Cl.Cc1ccc(Nc2nccc(-c3c(C)[nH]c(C#N)c3C)n2)cc1I

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.69
CDK2 P24941 11/20 0.69
EIF2AK2 P19525 9/20 0.44

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
SCHEMBL4615724 0.93 CDK4 (0.78) CDK4CDK2EIF2AK2
SCHEMBL4613588 0.93 CDK4 (0.78) CDK4CDK2EIF2AK2
SCHEMBL6600184 0.89 CDK4 (0.87) CDK4CDK2EIF2AK2
SCHEMBL6605374 0.84 CDK2 (0.90) CDK4CDK2EIF2AK2
SCHEMBL6599378 0.82 CDK4 (0.45) CDK4CDK2EIF2AK2
SCHEMBL4615351 0.82 CDK4 (1.00) CDK4CDK2EIF2AK2
SCHEMBL4613825 0.82 CDK2 (0.85) CDK4CDK2EIF2AK2
SCHEMBL4613710 0.82 CDK4 (1.00) CDK4CDK2EIF2AK2
SCHEMBL4615069 0.81 CDK4 (0.80) CDK4CDK2EIF2AK2
SCHEMBL6600207 0.78 CDK4 (0.87) CDK4CDK2EIF2AK2

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 4 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 claimed
WO-2002079193-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LIMITED (GB) 2002-10-10 WO claimed
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