SCHEMBL3130458

SCHEMBL3130458

CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.69
ROCK1 Q13464 7/20 0.61
CDC42BPA Q5VT25 2/20 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
SCHEMBL3243399 0.93 ROCK2 (0.66) ROCK2ROCK1CDC42BPA
SCHEMBL3242776 0.91 ROCK2 (0.77) ROCK2ROCK1CDC42BPA
SCHEMBL3239736 0.86 ROCK2 (0.92) ROCK2ROCK1CDC42BPA
SCHEMBL3247014 0.84 ROCK2 (0.74) ROCK2ROCK1CDC42BPA
SCHEMBL3245010 0.84 ROCK2 (0.70) ROCK2ROCK1CDC42BPA
SCHEMBL20511546 0.83 ROCK2 (0.71) ROCK2ROCK1CDC42BPA
SCHEMBL13391367 0.83 ROCK2 (0.61) ROCK2ROCK1CDC42BPA
SCHEMBL3243986 0.82 ROCK2 (0.66) ROCK2ROCK1CDC42BPA
SCHEMBL3129438 0.82 ROCK2 (0.68) ROCK2ROCK1CDC42BPA
SCHEMBL3241720 0.82 ROCK2 (0.70) ROCK2ROCK1CDC42BPA

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