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Sugi Predict / Compounds / SCHEMBL1649569

SCHEMBL1649569

SCHEMBL1649569

COc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 1.00
▸ ROCK1 Q13464 16/20 1.00
▸ PRKACA P17612 1/20 0.73
▸ PRKACG P22612 1/20 0.73
▸ PRKACB P22694 1/20 0.73

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
SCHEMBL1647884 0.89 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL12779315 0.87 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1649565 0.84 PRKACA (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL12779311 0.79 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1649824 0.75 PRKACA (0.80) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL12779243 0.75 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL30988408 0.75 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL12779328 0.75 PRKACA (0.72) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL12779335 0.75 ROCK2 (0.67) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL12779975 0.74 PRKACA (0.76) ROCK2ROCK1PRKACAPRKACGPRKACB

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-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 — — WO disclosed
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 — — WO disclosed