SCHEMBL6033255

SCHEMBL6033255

N#Cc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](NCCN)CC5)c3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.59

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
SCHEMBL13387373 0.93 ROCK2 (0.68) ROCK2
SCHEMBL2711061 0.93 ROCK2 (0.68) ROCK2
SCHEMBL2713958 0.92 ROCK2 (0.59) ROCK2
SCHEMBL13387365 0.92 ROCK2 (0.59) ROCK2
SCHEMBL2710511 0.92 ROCK2 (0.59) ROCK2
SCHEMBL13387457 0.92 ROCK2 (0.69) ROCK2
SCHEMBL2710879 0.92 ROCK2 (0.69) ROCK2
SCHEMBL2712913 0.91 ROCK2 (0.56) ROCK2
SCHEMBL2710893 0.90 ROCK2 (0.55) ROCK2
SCHEMBL2727366 0.89 ROCK2 (0.60) 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
Send feedback