SCHEMBL13362810

SCHEMBL13362810

Oc1nc(C2COc3ccccc3C2)nc2ccc(-c3ccncc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.60
▸ NISCH Q9Y2I1 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ GBA1 P04062 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
SCHEMBL3355166 0.87 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL3356239 0.84 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3384750 0.84 ROCK2 (0.63) ROCK2
SCHEMBL13362628 0.82 ROCK2 (0.64) ROCK2
SCHEMBL3389345 0.80 ROCK2 (0.45) ROCK2
SCHEMBL3359796 0.77 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL3354682 0.76 ROCK2 (0.53) ROCK2NISCHROCK1
SCHEMBL13457106 0.75 ROCK2 (1.00) ROCK2
SCHEMBL13362938 0.74 ROCK2 (0.37) ROCK2NISCH
SCHEMBL3359299 0.74 ROCK2 (0.55) ROCK2ROCK1

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-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
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