SCHEMBL7059666

SCHEMBL7059666

NC(=O)OCCOCc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.53
CDK5R1 Q15078 9/20 0.53
ROCK1 Q13464 1/20 0.44
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CCNA1 P78396 3/20 0.43
DYRK1A Q13627 1/20 0.40
GPR142 Q7Z601 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BLM P54132 1/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPY5R Q15761 1/20 0.34
NR3C2 P08235 1/20 0.33

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
SCHEMBL5342330 0.89 CDK5 (0.56) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5342187 0.85 CDK5 (0.54) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL7056528 0.83 CDK5 (0.53) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5342467 0.81 CDK5 (0.62) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5344913 0.81 CDK5 (0.65) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5343136 0.80 CDK5 (0.66) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL14558457 0.80 CDK5 (0.48) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL14558329 0.79 CDK5 (0.62) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5689495 0.79 CDK5 (0.65) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5341106 0.78 CDK5 (0.57) 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