SCHEMBL6583091

SCHEMBL6583091

COc1ccc(-c2cc(NC(=O)Cc3cccc4ccccc34)n[nH]2)cc1N(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.65
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
GAA P10253 1/20 0.48
TRPM5 Q9NZQ8 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
FOXO1 Q12778 1/20 0.44

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
SCHEMBL6585287 0.90 NPY5R (0.71) NPY5RCCNA2CDK2CCNA1GAA
SCHEMBL6583084 0.85 NPY5R (0.81) NPY5RCCNA2CDK2CCNA1MAPK8
SCHEMBL6584850 0.84 NPY5R (0.76) NPY5RCCNA2CDK2CCNA1TDP1
SCHEMBL6584650 0.79 NPY5R (1.00) NPY5RCCNA2CDK2CCNA1GAA
SCHEMBL6581866 0.78 NPY5R (0.78) NPY5RCCNA2CDK2CCNA1MAPK8
SCHEMBL6586725 0.78 NPY5R (0.71) NPY5RCCNA2CDK2CCNA1MAPK8
SCHEMBL7892690 0.75 L3MBTL1 (0.41) NPY5RGAATRPM5TDP1MAPK8
SCHEMBL6583315 0.75 NPY5R (0.62) NPY5R
SCHEMBL6582913 0.74 NPY5R (0.66) NPY5RCCNA2CDK2CCNA1MAPK8
SCHEMBL7001040 0.74 NPY5R (0.80) NPY5RKMT2AROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP disclosed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed