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SCHEMBL1647585

SCHEMBL1647585

COc1cccc(CN(C)C(=O)c2cc3ccc(-c4ccncc4)cc3n2CCN(C)C)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 12/20 0.78
▸ ROCK2 O75116 12/20 0.78
▸ HSD17B2 P37059 3/20 0.52
▸ TSPO P30536 2/20 0.45
▸ ABHD6 Q9BV23 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
SCHEMBL1649557 0.88 ROCK1 (0.76) ROCK1ROCK2HSD17B2TSPOABHD6
SCHEMBL1649564 0.87 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL1647543 0.85 ROCK1 (0.78) ROCK1ROCK2HPGD
SCHEMBL1647880 0.76 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL12779552 0.75 ROCK2 (0.77) ROCK1ROCK2HSD17B2ABHD6
SCHEMBL1647892 0.74 ROCK2 (0.78) ROCK1ROCK2
SCHEMBL1649554 0.73 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL1649562 0.73 ROCK1 (0.66) ROCK1ROCK2
SCHEMBL12779204 0.70 ROCK2 (0.79) ROCK1ROCK2HSD17B2
SCHEMBL1647895 0.70 ROCK2 (0.59) ROCK1ROCK2

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