SCHEMBL6629791

SCHEMBL6629791

CCN(CC)CCN(C)Cc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 11/20 0.54
CDK5R1 Q15078 11/20 0.54
ROCK1 Q13464 2/20 0.44
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
DYRK1A Q13627 1/20 0.40
GPR142 Q7Z601 1/20 0.37
HPGD P15428 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKCA P17252 1/20 0.35
IDE P14735 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK10 P53779 1/20 0.35
PRMT1 Q99873 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL5341200 0.90 CDK5 (0.60) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5689495 0.83 CDK5 (0.65) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5354931 0.83 CDK5 (0.58) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5339186 0.83 CDK5 (0.53) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL14558329 0.81 CDK5 (0.62) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5338421 0.81 CDK5 (0.61) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5341715 0.80 CDK5 (0.47) CDK5CDK5R1
SCHEMBL5343066 0.80 CDK5 (0.51) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5343136 0.80 CDK5 (0.66) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5342307 0.79 CDK5 (0.62) CDK5CDK5R1ROCK1CCNA2CDK2

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-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed