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SCHEMBL1649564

SCHEMBL1649564

COc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3n2CCN(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 17/20 1.00
▸ ROCK2 O75116 17/20 1.00
▸ PRKACA P17612 1/20 0.55
▸ PRKACG P22612 1/20 0.55
▸ PRKACB P22694 1/20 0.55
▸ CDC42BPA Q5VT25 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ MAPK10 P53779 1/20 0.54

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
SCHEMBL1647880 0.89 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647585 0.87 ROCK1 (0.78) ROCK1ROCK2
SCHEMBL1649554 0.86 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647659 0.81 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647662 0.78 ROCK1 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1649561 0.77 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1649557 0.76 ROCK1 (0.76) ROCK1ROCK2PRKACACYP2C9
SCHEMBL12779559 0.75 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1648234 0.75 ROCK2 (0.65) ROCK1ROCK2PRKACAPRKACGPRKACB
SCHEMBL1647243 0.75 ROCK2 (1.00) 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