SCHEMBL3248295

SCHEMBL3248295

CN(CCCN)c1cc(-c2cn[nH]c2)ccc1NC(=O)N(Cc1cccc(F)c1)C1CCC(O)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.51
ROCK1 Q13464 3/20 0.41
CTNNB1 P35222 4/20 0.40
BCL9 O00512 3/20 0.40
CDC42BPA Q5VT25 1/20 0.39

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
SCHEMBL3237438 0.86 ROCK2 (0.65) ROCK2ROCK1CDC42BPA
SCHEMBL3125123 0.81 ROCK2 (0.51) ROCK2ROCK1CDC42BPA
SCHEMBL3247906 0.79 ROCK2 (0.65) ROCK2ROCK1CDC42BPA
SCHEMBL3249296 0.77 ROCK2 (0.77) ROCK2ROCK1CDC42BPA
SCHEMBL3248971 0.77 ROCK2 (0.64) ROCK2ROCK1CDC42BPA
SCHEMBL3129341 0.77 ROCK2 (0.65) ROCK2ROCK1CDC42BPA
SCHEMBL3241441 0.75 ROCK2 (0.85) ROCK2ROCK1CDC42BPA
SCHEMBL3245577 0.74 ROCK2 (0.76) ROCK2ROCK1CDC42BPA
SCHEMBL3247086 0.74 ROCK2 (0.73) ROCK2ROCK1CDC42BPA
SCHEMBL3246339 0.73 ROCK2 (0.72) 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 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