SCHEMBL3252129

SCHEMBL3252129

COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2SCCN2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.60
ROCK1 Q13464 10/20 0.55
PRKACA P17612 2/20 0.52
PRKACG P22612 2/20 0.52
PRKACB P22694 2/20 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
SCHEMBL3116162 0.93 ROCK2 (0.57) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3253171 0.88 ROCK2 (0.54) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3246082 0.87 ROCK2 (0.61) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3245810 0.86 ROCK2 (0.64) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL13391107 0.84 ROCK2 (0.62) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3131955 0.84 ROCK2 (0.66) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3242873 0.81 ROCK2 (0.56) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3126809 0.81 ROCK2 (0.61) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3242746 0.80 ROCK2 (0.58) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3246086 0.80 ROCK2 (0.65) ROCK2ROCK1PRKACAPRKACGPRKACB

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