SCHEMBL3383989

SCHEMBL3383989

Cc1ccc2c(c1)CC(c1nc(O)c3cc(-c4cn[nH]c4C)ccc3n1)CO2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.52
▸ ACVR1 Q04771 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
SCHEMBL3386815 0.90 ROCK2 (0.56) ROCK2
SCHEMBL3384682 0.85 ROCK2 (0.68) ROCK2
SCHEMBL3388663 0.83 ROCK2 (0.51) ROCK2
SCHEMBL3355166 0.82 ROCK2 (0.49) ROCK2
SCHEMBL3388779 0.80 ROCK2 (0.52) ROCK2ACVR1
SCHEMBL13362587 0.75 ROCK2 (0.40) ROCK2
SCHEMBL13362859 0.74 ROCK2 (0.40) ROCK2
SCHEMBL13362739 0.74 ROCK2 (0.73) ROCK2
SCHEMBL3386714 0.74 ROCK2 (0.73) ROCK2
SCHEMBL13362854 0.74 ROCK2 (0.73) 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 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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