SCHEMBL7061483

SCHEMBL7061483

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 12/20 0.42
CDK5R1 Q15078 12/20 0.42
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.35
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
GPR142 Q7Z601 1/20 0.33
ADORA2A P29274 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
MAPK1 P28482 1/20 0.31
SREBF2 Q12772 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL5344552 0.84 CDK5 (0.44) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5348210 0.82 CDK5 (0.50) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5341200 0.79 CDK5 (0.60) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5338959 0.78 CDK5 (0.52) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL6629791 0.78 CDK5 (0.54) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL7061478 0.78 CDK5 (0.44) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL14558417 0.78 CDK5 (0.46) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL7059759 0.77 CDK5 (0.49) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5343066 0.76 CDK5 (0.51) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5341862 0.76 CDK5 (0.46) 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-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed