SCHEMBL3241276

SCHEMBL3241276

COc1cccc(COC(=O)N(CCO)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.72
ROCK1 Q13464 8/20 0.61
CYP2C9 P11712 3/20 0.61
CDC42BPA Q5VT25 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61

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
SCHEMBL3244090 0.94 ROCK2 (0.65) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3249420 0.84 ROCK2 (1.00) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3239746 0.83 ROCK2 (0.56) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3124374 0.83 ROCK2 (0.64) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3249289 0.83 ROCK2 (0.61) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3244390 0.83 ROCK2 (0.50) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3252699 0.82 ROCK2 (0.58) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3255476 0.81 ROCK2 (0.59) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3242073 0.81 ROCK2 (0.65) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3253617 0.81 ROCK2 (0.57) 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 1 patent. 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