SCHEMBL13457402

SCHEMBL13457402

COc1ccc2c(c1)CC(c1nc3ccc(-c4ccc(N)nc4)cc3o1)CO2

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.72
▸ AKT1 P31749 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.40

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
SCHEMBL3264748 0.92 ROCK2 (0.76) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457394 0.89 ROCK2 (0.78) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457248 0.86 ROCK2 (0.68) ROCK2
SCHEMBL13457189 0.85 ROCK2 (0.67) ROCK2TNIK
SCHEMBL3262426 0.85 ROCK2 (0.71) ROCK2
SCHEMBL13456989 0.84 ROCK2 (0.75) ROCK2
SCHEMBL3232068 0.84 ROCK2 (0.68) ROCK2AKT1MAPK8MAPK10
SCHEMBL3232097 0.84 ROCK2 (1.00) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457009 0.81 ROCK2 (0.66) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457181 0.79 ROCK2 (0.64) 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 1 patent. 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
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