SCHEMBL3261857

SCHEMBL3261857

Nc1nccc(-c2ccc3nc(C4COc5ccc(C(=O)NC6CC6)cc5C4)sc3c2)n1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.71
▸ MAPK10 P53779 1/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ CDC42BPA Q5VT25 1/20 0.53

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
SCHEMBL13457642 0.88 ROCK2 (0.64) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL13457507 0.88 ROCK2 (0.65) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL13457194 0.88 ROCK2 (0.71) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL13457199 0.86 ROCK2 (0.64) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL13457024 0.86 ROCK2 (0.73) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL13457343 0.84 ROCK2 (0.78) ROCK2
SCHEMBL13457198 0.83 ROCK2 (0.67) ROCK2
SCHEMBL13457026 0.83 ROCK2 (0.69) ROCK2
SCHEMBL13457094 0.82 ROCK2 (0.78) ROCK2
SCHEMBL1519576 0.81 ROCK2 (0.88) ROCK2MAPK10

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-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 — — WO disclosed
WO-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 — — WO disclosed
Send feedback