SCHEMBL14569764

SCHEMBL14569764

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.49
CDK5R1 Q15078 4/20 0.49
DYRK1A Q13627 1/20 0.45
ROCK1 Q13464 1/20 0.41
CPT1A P50416 1/20 0.39
UCHL1 P09936 3/20 0.39
F2RL3 Q96RI0 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
USP30 Q70CQ3 4/20 0.38
PRMT5 O14744 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL5347201 1.00 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CPT1A
SCHEMBL14558502 0.86 CDK5 (0.56) CDK5CDK5R1DYRK1AROCK1ACKR3
SCHEMBL5338445 0.86 CDK5 (0.56) CDK5CDK5R1DYRK1AROCK1ACKR3
SCHEMBL14558880 0.86 CDK5 (0.56) CDK5CDK5R1DYRK1AROCK1ACKR3
SCHEMBL5352022 0.86 CDK5 (0.50) CDK5CDK5R1DYRK1AROCK1CPT1A
SCHEMBL5341555 0.86 CDK5 (0.50) CDK5CDK5R1DYRK1AROCK1ACKR3
SCHEMBL5348206 0.85 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1ALOX5AP
SCHEMBL14558453 0.84 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1ALOX5AP
SCHEMBL5348501 0.84 CDK5 (0.55) CDK5CDK5R1DYRK1AROCK1CPT1A
SCHEMBL5344526 0.82 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1USP30

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
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed