SCHEMBL10070375

SCHEMBL10070375

NCCN[C@H]1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc(N)cc4)c3)sc2C1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.66
TP53 P04637 3/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
GSK3B P49841 2/20 0.43
CSNK2A1 P68400 2/20 0.43

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
SCHEMBL10070377 0.91 ROCK2 (0.63) ROCK2TP53MAPTPOLB
SCHEMBL10070035 0.88 ROCK2 (0.84) ROCK2TP53MAPT
SCHEMBL10070034 0.85 ROCK2 (0.83) ROCK2
SCHEMBL321408 0.85 ROCK2 (0.76) ROCK2
SCHEMBL321409 0.85 ROCK2 (0.76) ROCK2
SCHEMBL10070393 0.84 ROCK2 (0.85) ROCK2
SCHEMBL320301 0.83 ROCK2 (0.75) ROCK2
SCHEMBL320300 0.83 ROCK2 (0.75) ROCK2
SCHEMBL10070397 0.82 ROCK2 (0.85) ROCK2MAPT
SCHEMBL10069830 0.82 ROCK2 (0.85) 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-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed