SCHEMBL13457044

SCHEMBL13457044

Nc1nccc(-c2ccc3nc(C4COc5ccccc5C4)sc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 1.00

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
SCHEMBL13457094 0.88 ROCK2 (0.78) ROCK2
SCHEMBL3238683 0.86 ROCK2 (0.75) ROCK2
SCHEMBL13457520 0.83 ROCK2 (1.00) ROCK2
SCHEMBL13457476 0.83 ROCK2 (0.71) ROCK2
SCHEMBL13457106 0.83 ROCK2 (1.00) ROCK2
SCHEMBL13457194 0.82 ROCK2 (0.71) ROCK2
SCHEMBL13457026 0.82 ROCK2 (0.69) ROCK2
SCHEMBL13457197 0.81 ROCK2 (0.68) ROCK2
SCHEMBL13457198 0.81 ROCK2 (0.67) ROCK2
SCHEMBL3261857 0.81 ROCK2 (0.71) ROCK2

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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