SCHEMBL13457401

SCHEMBL13457401

Nc1cc(-c2ccc3nc(C4COc5ccccc5C4)oc3c2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.75
▸ NISCH Q9Y2I1 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL13457338 0.87 ROCK2 (0.77) ROCK2DYRK1A
SCHEMBL3228103 0.86 ROCK2 (1.00) ROCK2
SCHEMBL13457394 0.85 ROCK2 (0.78) ROCK2DYRK1A
SCHEMBL13456990 0.80 ROCK2 (1.00) ROCK2
SCHEMBL24309022 0.78 ROCK2 (0.66) ROCK2NISCH
SCHEMBL13457632 0.75 ROCK2 (0.70) ROCK2NISCH
SCHEMBL13457409 0.74 ROCK2 (0.80) ROCK2
SCHEMBL13457391 0.74 ROCK2 (1.00) ROCK2
SCHEMBL13457339 0.74 ROCK2 (1.00) ROCK2
SCHEMBL13457402 0.73 ROCK2 (0.72) 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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