SCHEMBL320401

SCHEMBL320401

N#Cc1ccc(NC(=O)COc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)O)CC4)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.81
GSK3B P49841 2/20 0.49
CSNK2A1 P68400 2/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL320400 1.00 ROCK2 (0.81) ROCK2GSK3BCSNK2A1KDM4E
SCHEMBL10277446 0.91 ROCK2 (0.75) ROCK2KDM4E
SCHEMBL10277445 0.91 ROCK2 (0.75) ROCK2KDM4E
SCHEMBL321408 0.90 ROCK2 (0.76) ROCK2KDM4E
SCHEMBL321409 0.90 ROCK2 (0.76) ROCK2KDM4E
SCHEMBL321005 0.89 ROCK2 (1.00) ROCK2
SCHEMBL321004 0.89 ROCK2 (1.00) ROCK2
SCHEMBL10070379 0.89 ROCK2 (1.00) ROCK2
SCHEMBL320300 0.88 ROCK2 (0.75) ROCK2KDM4E
SCHEMBL320301 0.88 ROCK2 (0.75) ROCK2KDM4E

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-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed