SCHEMBL3354682

SCHEMBL3354682

CN(C)CCN(C)c1cc(-c2ccncc2)cc2c(O)nc(C3COc4ccccc4C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.53
▸ ROCK1 Q13464 4/20 0.42
▸ NISCH Q9Y2I1 1/20 0.34

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
SCHEMBL3386593 0.77 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL13362810 0.76 ROCK2 (0.60) ROCK2ROCK1NISCH
SCHEMBL3385770 0.74 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL13457118 0.69 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3355166 0.67 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL13362628 0.65 ROCK2 (0.64) ROCK2
SCHEMBL3356239 0.65 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3359796 0.64 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL3387979 0.64 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL13362764 0.63 ROCK2 (0.69) 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 2 patents. 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
WO-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
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