SCHEMBL13457339

SCHEMBL13457339

Nc1nccc(-c2ccc3nc(C4COc5ccc(F)cc5C4)oc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 1.00
▸ AKT1 P31749 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46

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
SCHEMBL13457409 0.89 ROCK2 (0.80) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457391 0.89 ROCK2 (1.00) ROCK2AKT1MAPK8MAPK10
SCHEMBL3228103 0.88 ROCK2 (1.00) ROCK2
SCHEMBL13457338 0.87 ROCK2 (0.77) ROCK2
SCHEMBL3232097 0.86 ROCK2 (1.00) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457406 0.85 ROCK2 (0.84) ROCK2AKT1MAPK8MAPK10
SCHEMBL3264920 0.84 ROCK2 (1.00) ROCK2AKT1MAPK8MAPK10
SCHEMBL3264335 0.83 ROCK2 (0.83) ROCK2AKT1MAPK8MAPK10
SCHEMBL13457343 0.82 ROCK2 (0.78) ROCK2
SCHEMBL13457413 0.81 ROCK2 (0.76) 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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