SCHEMBL5342702

SCHEMBL5342702

O=C(Nc1cccc(NCCCO)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.61
CDK5R1 Q15078 7/20 0.61
ROCK1 Q13464 1/20 0.49
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
DYRK1A Q13627 1/20 0.44
GPR142 Q7Z601 1/20 0.41
FYN P06241 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 1/20 0.38
PIM1 P11309 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL5349262 0.86 CDK5 (0.58) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5341973 0.85 CDK5 (0.58) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5345069 0.82 RAB9A (0.39) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5342480 0.82 CDK5 (0.56) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5343136 0.81 CDK5 (0.66) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5341105 0.80 CDK5 (0.81) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL14569530 0.80 CDK5 (0.70) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5337543 0.79 CDK5 (0.47) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5345140 0.79 CDK5 (0.69) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5342009 0.79 CDK5 (0.69) 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 3 patents. 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
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed