SCHEMBL3356239

SCHEMBL3356239

COc1ccc2c(c1)CC(c1nc(O)c3cc(-c4ccncc4)ccc3n1)CO2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.56
▸ ROCK1 Q13464 3/20 0.44
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MTNR1A P48039 1/20 0.39

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
SCHEMBL3359796 0.94 ROCK2 (0.51) ROCK2ROCK1ALOX15ALOX12MTNR1A
SCHEMBL3359299 0.89 ROCK2 (0.55) ROCK2ROCK1ALOX15ALOX12
SCHEMBL3355166 0.88 ROCK2 (0.49) ROCK2ROCK1ALOX15ALOX12
SCHEMBL13362739 0.86 ROCK2 (0.73) ROCK2
SCHEMBL3386714 0.86 ROCK2 (0.73) ROCK2
SCHEMBL13362854 0.86 ROCK2 (0.73) ROCK2
SCHEMBL13362810 0.84 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL3356118 0.84 ROCK2 (0.67) ROCK2
SCHEMBL3386815 0.83 ROCK2 (0.56) ROCK2ROCK1ALOX15ALOX12
SCHEMBL3387705 0.80 ROCK2 (0.45) 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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