SCHEMBL3385572

SCHEMBL3385572

O=C(O)c1ccc2c(c1)CC(c1nc(O)c3cc(-c4cn[nH]c4)ccc3n1)CO2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.61
▸ MAPK10 P53779 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ CDC42BPA Q5VT25 1/20 0.49

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
SCHEMBL3388397 0.92 ROCK2 (0.68) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL13363138 0.92 ROCK2 (0.73) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL3388681 0.91 ROCK2 (0.74) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL13363120 0.89 ROCK2 (0.59) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL3384682 0.88 ROCK2 (0.68) ROCK2
SCHEMBL3388712 0.88 ROCK2 (0.64) ROCK2
SCHEMBL13362740 0.88 ROCK2 (0.68) ROCK2
SCHEMBL3388201 0.88 ROCK2 (0.68) ROCK2
SCHEMBL3386111 0.87 ROCK2 (0.76) ROCK2MAPK10ROCK1CDC42BPA
SCHEMBL3384750 0.86 ROCK2 (0.63) 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
Send feedback