SCHEMBL3240774

SCHEMBL3240774

COc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.62
CDC42BPA Q5VT25 3/20 0.62
ROCK1 Q13464 9/20 0.58

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
SCHEMBL3246515 0.93 ROCK2 (0.57) ROCK2CDC42BPAROCK1
SCHEMBL3124049 0.91 ROCK2 (0.60) ROCK2CDC42BPAROCK1
SCHEMBL3243986 0.89 ROCK2 (0.66) ROCK2CDC42BPAROCK1
SCHEMBL3248264 0.89 ROCK2 (0.62) ROCK2CDC42BPAROCK1
SCHEMBL3253611 0.88 ROCK2 (0.61) ROCK2CDC42BPAROCK1
SCHEMBL3246082 0.88 ROCK2 (0.61) ROCK2CDC42BPAROCK1
SCHEMBL3239731 0.87 ROCK2 (0.60) ROCK2CDC42BPAROCK1
SCHEMBL3253171 0.87 ROCK2 (0.54) ROCK2CDC42BPAROCK1
SCHEMBL3255470 0.85 ROCK2 (0.74) ROCK2CDC42BPAROCK1
SCHEMBL3242776 0.85 ROCK2 (0.77) ROCK2CDC42BPAROCK1

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