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Sugi Predict / Compounds / SCHEMBL3388663

SCHEMBL3388663

SCHEMBL3388663

COc1ccc2c(c1)CC(c1nc(O)c3ccc(-c4cn[nH]c4C)cc3n1)CO2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.51
▸ ROCK1 Q13464 1/20 0.48
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CLK1 P49759 1/20 0.41

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 0.94 ROCK2 (0.56) ROCK2ROCK1ALOX15ALOX12ALDH1A1
SCHEMBL3388227 0.85 ROCK2 (0.67) ROCK2
SCHEMBL3383989 0.83 ROCK2 (0.52) ROCK2
SCHEMBL3359796 0.82 ROCK2 (0.51) ROCK2ROCK1ALOX15ALOX12
SCHEMBL13362739 0.79 ROCK2 (0.73) ROCK2
SCHEMBL3386714 0.79 ROCK2 (0.73) ROCK2
SCHEMBL13362854 0.79 ROCK2 (0.73) ROCK2
SCHEMBL3388779 0.77 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL3356239 0.76 ROCK2 (0.56) ROCK2ROCK1ALOX15ALOX12
SCHEMBL3359299 0.73 ROCK2 (0.55) ROCK2ROCK1ALOX15ALOX12

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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