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SCHEMBL1649554

SCHEMBL1649554

COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)cc3n2CCN(C)C)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 13/20 1.00
▸ PRKACA P17612 2/20 0.62
▸ PRKACG P22612 2/20 0.62
▸ PRKACB P22694 2/20 0.62

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
SCHEMBL12779559 0.89 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1647673 0.88 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1647543 0.88 ROCK1 (0.78) ROCK2ROCK1PRKACA
SCHEMBL1649564 0.86 ROCK1 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1647834 0.82 PRKACA (0.77) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1648731 0.82 ROCK1 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1649576 0.79 ROCK1 (0.91) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL12779184 0.79 ROCK2 (0.91) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1648839 0.78 ROCK2 (0.87) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL1647882 0.78 ROCK2 (1.00) 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