SCHEMBL3389345

SCHEMBL3389345

Cc1n[nH]cc1-c1ccc2nc(C3COc4ccccc4C3)nc(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.45

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
SCHEMBL3384750 0.82 ROCK2 (0.63) ROCK2
SCHEMBL13362810 0.80 ROCK2 (0.60) ROCK2
SCHEMBL13457632 0.79 ROCK2 (0.70) ROCK2
SCHEMBL13457523 0.78 ROCK2 (0.71) ROCK2
SCHEMBL13362628 0.75 ROCK2 (0.64) ROCK2
SCHEMBL13362606 0.75 ROCK2 (0.51) ROCK2
SCHEMBL13362938 0.74 ROCK2 (0.37) ROCK2
SCHEMBL3384682 0.74 ROCK2 (0.68) ROCK2
SCHEMBL3383989 0.74 ROCK2 (0.52) ROCK2
SCHEMBL3386815 0.73 ROCK2 (0.56) 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-2010056758-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS FENG YANGBO (US) 2010-05-20 — — WO disclosed
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