SCHEMBL3248289

SCHEMBL3248289

COc1cccc(CN(CCC(=O)N2CCOCC2)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.80
ROCK1 Q13464 8/20 0.80
CYP2C9 P11712 3/20 0.71
CDC42BPA Q5VT25 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71

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
SCHEMBL3244856 0.93 ROCK2 (0.79) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3247024 0.92 ROCK2 (0.80) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3238180 0.89 ROCK2 (1.00) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3252788 0.88 ROCK2 (1.00) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3253194 0.87 ROCK2 (0.69) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3246804 0.86 ROCK2 (0.68) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3248301 0.86 ROCK2 (0.84) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3239426 0.85 ROCK2 (0.66) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3244579 0.84 ROCK2 (0.82) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3236863 0.83 ROCK2 (1.00) 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