SCHEMBL3238683

SCHEMBL3238683

COc1ccc2c(c1)CC(c1nc3ccc(-c4ccnc(N)n4)cc3s1)CO2

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.75
▸ AKT1 P31749 1/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK10 P53779 1/20 0.57

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
SCHEMBL3265327 0.89 ROCK2 (0.72) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457094 0.87 ROCK2 (0.78) ROCK2
SCHEMBL13457194 0.86 ROCK2 (0.71) ROCK2MAPK10
SCHEMBL13457044 0.86 ROCK2 (1.00) ROCK2
SCHEMBL13457185 0.85 ROCK2 (0.77) ROCK2MAPK10
SCHEMBL13457264 0.84 ROCK2 (0.66) ROCK2MAPK10
SCHEMBL13457209 0.82 AKT1 (0.55) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457464 0.82 AKT1 (0.57) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457476 0.82 ROCK2 (0.71) ROCK2
SCHEMBL3232097 0.82 ROCK2 (1.00) ROCK2AKT1MAPK8MAPK10

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
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