SCHEMBL3247262

SCHEMBL3247262

COc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCC2CCNC2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.51
ROCK1 Q13464 7/20 0.50
CDC42BPA Q5VT25 7/20 0.50
CYP2C9 P11712 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3244524 0.88 ROCK2 (0.59) ROCK2ROCK1CDC42BPA
SCHEMBL3243093 0.86 ROCK2 (0.51) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3248264 0.84 ROCK2 (0.62) ROCK2ROCK1CDC42BPACYP2C9NPC1
SCHEMBL3253611 0.83 ROCK2 (0.61) ROCK2ROCK1CDC42BPACYP2C9NPC1
SCHEMBL3252837 0.83 ROCK2 (0.64) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3247257 0.82 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3239731 0.82 ROCK2 (0.60) ROCK2ROCK1CDC42BPACYP2C9NPC1
SCHEMBL3252549 0.82 ROCK2 (0.56) ROCK2ROCK1CDC42BPACYP2C9NPC1
SCHEMBL3250079 0.82 ROCK2 (0.55) ROCK2ROCK1CDC42BPACYP2C9NPC1
SCHEMBL3248676 0.81 ROCK2 (0.58) ROCK2ROCK1CDC42BPACYP2C9NPC1

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