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SCHEMBL1648731

SCHEMBL1648731

COc1cccc(CNC(=O)c2cn(CCN(C)C)c3cc(-c4cn[nH]c4)ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 15/20 1.00
▸ ROCK2 O75116 15/20 0.81
▸ PRKACA P17612 4/20 0.66
▸ PRKACG P22612 4/20 0.66
▸ PRKACB P22694 4/20 0.66

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
SCHEMBL1649576 0.95 ROCK1 (0.91) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647553 0.92 ROCK1 (0.85) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL12779542 0.90 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1649582 0.88 ROCK2 (0.79) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647289 0.88 ROCK2 (0.79) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1648103 0.88 ROCK1 (0.79) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647659 0.86 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647834 0.85 PRKACA (0.77) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1648093 0.83 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647861 0.82 ROCK1 (0.85) ROCK1ROCK2PRKACAPRKACGPRKACB

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