SCHEMBL3255997

SCHEMBL3255997

O=C(NCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.68
ROCK1 Q13464 2/20 0.63
MYLK4 Q86YV6 1/20 0.63
RPS6KB1 P23443 1/20 0.52

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
SCHEMBL3249053 0.87 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL3241665 0.82 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL3249722 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3241837 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3244196 0.80 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL13391093 0.79 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL3245543 0.78 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL3130996 0.78 ROCK2 (0.82) ROCK2ROCK1
SCHEMBL23615975 0.78 ROCK1 (1.00) ROCK2ROCK1MYLK4RPS6KB1
SCHEMBL3240353 0.77 ROCK2 (1.00) ROCK2ROCK1MYLK4RPS6KB1

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 3 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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed