SCHEMBL6032908

SCHEMBL6032908

CN(CCC(F)(F)F)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(N)cc5)nn4)c3)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.49

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
SCHEMBL6032831 0.92 ROCK2 (0.51) ROCK2
SCHEMBL2727428 0.92 ROCK2 (0.55) ROCK2
SCHEMBL2727424 0.92 ROCK2 (0.55) ROCK2
SCHEMBL6031649 0.91 ROCK2 (0.50) ROCK2
SCHEMBL6032780 0.90 ROCK2 (0.52) ROCK2
SCHEMBL6031918 0.89 ROCK2 (0.53) ROCK2
SCHEMBL6032480 0.86 ROCK2 (0.49) ROCK2
SCHEMBL2728169 0.85 ROCK2 (0.54) ROCK2
SCHEMBL2728167 0.85 ROCK2 (0.54) ROCK2
SCHEMBL2728724 0.83 ROCK2 (0.57) ROCK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
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