SCHEMBL5777783

SCHEMBL5777783

O=C(Cc1cccc2cccnc12)Nc1ncc(C2CCC2)s1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 17/20 0.71
CDK2 P24941 17/20 0.71
CDK5 Q00535 17/20 0.71
CDK5R1 Q15078 1/20 0.62
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
GLS O94925 1/20 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
SCHEMBL5781521 0.86 CDK5 (0.55) CCNE1CDK2CDK5CDK5R1ALDH1A1
SCHEMBL5779402 0.85 CCNE1 (0.71) CCNE1CDK2CDK5CDK5R1MAPK9
SCHEMBL5779348 0.83 CCNE1 (1.00) CCNE1CDK2CDK5CDK5R1MAPK9
SCHEMBL5779707 0.81 CCNE1 (0.72) CCNE1CDK2CDK5CDK5R1
SCHEMBL5777781 0.79 CCNE1 (1.00) CCNE1CDK2CDK5CDK5R1GLS
SCHEMBL5782074 0.78 CCNE1 (0.78) CCNE1CDK2CDK5CDK5R1GLS
SCHEMBL5780891 0.77 CCNE1 (1.00) CCNE1CDK2CDK5CDK5R1ALDH1A1
SCHEMBL5779224 0.74 CCNE1 (0.61) CCNE1CDK2CDK5CDK5R1
SCHEMBL5781707 0.74 CCNE1 (1.00) CCNE1CDK2CDK5CDK5R1ALDH1A1
SCHEMBL5780928 0.73 CCNE1 (0.72) CCNE1CDK2CDK5CDK5R1GLS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256578-B1 Thiazole derivatives and their use as cdk inhibitors PFIZER PROD INC (US) 2006-01-11 EP claimed