SCHEMBL3243302

SCHEMBL3243302

O=C(Nc1ccc(-c2cn[nH]c2)cc1)OCc1cccc(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.75
ROCK1 Q13464 2/20 0.49
CYP2C9 P11712 1/20 0.49
CDC42BPA Q5VT25 1/20 0.49
MYLK4 Q86YV6 1/20 0.49
MAPT P10636 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
SCHEMBL3248356 0.87 ROCK2 (0.75) ROCK2ROCK1CYP2C9CDC42BPAMYLK4
SCHEMBL3241199 0.87 ROCK2 (0.75) ROCK2ROCK1CYP2C9CDC42BPAMYLK4
SCHEMBL3248274 0.86 ROCK2 (1.00) ROCK2ROCK1MYLK4
SCHEMBL3246005 0.85 ROCK2 (0.72) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL3248557 0.82 ROCK2 (1.00) ROCK2
SCHEMBL15742913 0.82 ROCK2 (0.75) ROCK2ROCK1CYP2C9CDC42BPA
SCHEMBL11117088 0.80 PDGFRB (0.48) ROCK2ROCK1MAPT
SCHEMBL3114815 0.79 ROCK2 (0.78) ROCK2ROCK1MYLK4
SCHEMBL3025432 0.78 ROCK2 (0.56) ROCK2ROCK1MAPT
SCHEMBL3251290 0.77 ROCK2 (0.74) ROCK2ROCK1CYP2C9CDC42BPA

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