SCHEMBL3255871

SCHEMBL3255871

O=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CCO)c1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.80
ROCK1 Q13464 6/20 0.80
CDC42BPA Q5VT25 1/20 0.80

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
SCHEMBL3249344 0.89 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL3250523 0.89 ROCK2 (0.81) ROCK2ROCK1CDC42BPA
SCHEMBL3240825 0.89 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL3249790 0.88 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL3242561 0.80 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL21507533 0.78 ROCK2 (0.58) ROCK2ROCK1CDC42BPA
SCHEMBL3238860 0.77 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL20661155 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20661018 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3248557 0.76 ROCK2 (1.00) ROCK2

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