SCHEMBL14135085

SCHEMBL14135085

Nc1cccc(NC(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.80
PKN2 Q16513 4/20 0.75
BRD4 O60885 2/20 0.46
ABL1 P00519 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKG1 Q13976 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CHRM3 P20309 1/20 0.43
JAK3 P52333 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACP1 P24666 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
SCHEMBL10195556 0.93 ROCK2 (0.81) ROCK2PKN2BRD4ABL1PRKCE
SCHEMBL307285 0.89 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C19
SCHEMBL307449 0.86 ROCK2 (1.00) ROCK2PKN2BRD4ABL1PRKCE
SCHEMBL307684 0.85 ROCK2 (0.81) ROCK2PKN2BRD4PRKG1CYP3A4
SCHEMBL10196099 0.81 ROCK2 (0.80) ROCK2PKN2PRKCEPRKG1ITGB3
SCHEMBL10198173 0.80 ROCK2 (0.61) ROCK2PKN2JAK3CYP3A4CYP2C19
SCHEMBL307182 0.78 ROCK2 (1.00) ROCK2PKN2BRD4PRKG1CYP3A4
SCHEMBL306974 0.77 ROCK2 (0.68) ROCK2PKN2PRKG1CYP3A4
SCHEMBL307709 0.75 ROCK2 (1.00) ROCK2PKN2PRKCEPRKG1ITGB3
SCHEMBL306941 0.73 ROCK2 (0.73) ROCK2PKN2JAK3CYP3A4CYP2C19

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-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed