SCHEMBL6032453

SCHEMBL6032453

Nc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(NCC(F)F)CC5)c3)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.47
UCHL1 P09936 1/20 0.42
UCHL3 P15374 1/20 0.42
UCHL5 Q9Y5K5 1/20 0.42

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
SCHEMBL2726225 0.91 ROCK2 (0.54) ROCK2
SCHEMBL6032666 0.88 ROCK2 (0.45) ROCK2
SCHEMBL6031827 0.88 ROCK2 (0.58) ROCK2UCHL1UCHL3UCHL5
SCHEMBL6031649 0.86 ROCK2 (0.50) ROCK2
SCHEMBL6031918 0.84 ROCK2 (0.53) ROCK2
SCHEMBL6033337 0.83 ROCK2 (0.61) ROCK2
SCHEMBL2729740 0.82 ROCK2 (0.55) ROCK2
SCHEMBL6032831 0.82 ROCK2 (0.51) ROCK2
SCHEMBL2710647 0.81 ROCK2 (0.67) ROCK2
SCHEMBL13387778 0.81 ROCK2 (0.67) 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