SCHEMBL3254666

SCHEMBL3254666

NC(=O)c1cccc(COC(=O)N(CCN2CCOCC2)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.51
ROCK1 Q13464 4/20 0.51
AOC3 Q16853 1/20 0.39
CASR P41180 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL3246422 0.93 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL3246424 0.77 CCR5 (0.43)
SCHEMBL3247220 0.76 ROCK2 (0.47) ROCK2ROCK1CHEK1
SCHEMBL3246520 0.75 ROCK2 (0.59) ROCK2ROCK1
SCHEMBL3242878 0.74 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL3246237 0.74 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL3245955 0.71 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL3241276 0.70 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL3252994 0.70 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL3244390 0.70 ROCK2 (0.50) ROCK2ROCK1

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