SCHEMBL3246740

SCHEMBL3246740

COc1cccc(OCC(=O)N(CCCO)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.59
ROCK1 Q13464 5/20 0.50
CYP2C9 P11712 3/20 0.50
CDC42BPA Q5VT25 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL3244688 0.91 ROCK2 (0.56) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3242073 0.81 ROCK2 (0.65) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3244090 0.81 ROCK2 (0.65) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3242929 0.80 ROCK2 (0.64) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3244866 0.80 ROCK2 (0.90) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3247191 0.79 ROCK2 (0.62) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3249301 0.79 ROCK2 (0.64) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3240815 0.78 ROCK2 (0.67) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3248728 0.78 ROCK2 (0.53) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3241276 0.75 ROCK2 (0.72) ROCK2ROCK1CYP2C9CDC42BPACYP3A4

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed