SCHEMBL7056528

SCHEMBL7056528

NC(=O)OCCOCc1ccc(NC(=O)Nc2csc(-c3ccncc3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.53
CDK5R1 Q15078 7/20 0.53
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
ROCK1 Q13464 3/20 0.40
DYRK1A Q13627 1/20 0.38
GPR142 Q7Z601 1/20 0.37
ROCK2 O75116 2/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
WNT3A P56704 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL5343143 0.89 CDK5 (0.56) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348040 0.85 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7059666 0.83 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345256 0.83 CDK5 (0.61) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14558460 0.80 CDK5 (0.48) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5338197 0.77 CDK5 (0.65) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5341105 0.75 CDK5 (0.81) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14558320 0.74 CDK5 (0.67) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14558339 0.72 CDK5 (0.63) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345427 0.72 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1

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