SCHEMBL2715136

SCHEMBL2715136

CN1CCN(C2CCc3nc(NC(=O)c4cccc(Cc5nc(-c6ccc(C#N)cc6)c[nH]5)c4)sc3C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.64

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
SCHEMBL2713028 0.93 ROCK2 (0.57) ROCK2
SCHEMBL2728867 0.92 ROCK2 (0.65) ROCK2
SCHEMBL2711072 0.92 ROCK2 (0.65) ROCK2
SCHEMBL2712952 0.91 ROCK2 (0.54) ROCK2
SCHEMBL6030824 0.85 ROCK2 (0.67) ROCK2
SCHEMBL2728687 0.84 ROCK2 (0.66) ROCK2
SCHEMBL2711404 0.83 ROCK2 (0.63) ROCK2
SCHEMBL2711399 0.83 ROCK2 (0.63) ROCK2
SCHEMBL2711086 0.82 ROCK2 (0.64) ROCK2
SCHEMBL2713193 0.82 ROCK2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630144-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-08-28 EP disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 WO disclosed