SCHEMBL3385424

SCHEMBL3385424

COc1ccc2c(c1)CC(c1nc(N(C)C)c3cc(-c4cn[nH]c4)ccc3n1)CO2

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.82
▸ ROCK1 Q13464 1/20 0.48

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
SCHEMBL13362852 0.90 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3382939 0.90 ROCK2 (0.83) ROCK2ROCK1
SCHEMBL3387837 0.90 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3386714 0.88 ROCK2 (0.73) ROCK2
SCHEMBL13362854 0.88 ROCK2 (0.73) ROCK2
SCHEMBL13362739 0.88 ROCK2 (0.73) ROCK2
SCHEMBL3389243 0.88 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL3386833 0.88 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL3386086 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3384785 0.84 ROCK2 (0.73) 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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