SCHEMBL877014

SCHEMBL877014

CCCCNc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)O)c3)c3cc(OCCCl)ccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.51
MET P08581 1/20 0.51
ROCK2 O75116 8/20 0.50
ROCK1 Q13464 3/20 0.49
CSNK2A1 P68400 2/20 0.49
STK3 Q13188 2/20 0.49
AURKB Q96GD4 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
STK17A Q9UEE5 2/20 0.49
PLK4 O00444 1/20 0.49
CHEK2 O96017 1/20 0.49
PRKCG P05129 1/20 0.49
PHKG2 P15735 1/20 0.49
CDK2 P24941 1/20 0.49
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
MAP2K2 P36507 1/20 0.49
PRKCI P41743 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
PRKCQ Q04759 1/20 0.49

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
SCHEMBL876565 0.92 PRKD3 (0.48) PRKD3METROCK2ROCK1CSNK2A1
SCHEMBL877013 0.90 PRKD3 (0.64) PRKD3METROCK2ROCK1CSNK2A1
SCHEMBL877966 0.90 ROCK2 (0.49) PRKD3METROCK2ROCK1CSNK2A1
SCHEMBL877550 0.87 SYK (0.43) PRKD3METROCK2ROCK1CSNK2A1
SCHEMBL1724776 0.83 ROCK2 (0.44) PRKD3METROCK2ERBB2EGFR
SCHEMBL877821 0.82 ROCK2 (0.45) PRKD3METROCK2ERBB2EGFR
SCHEMBL877133 0.82 PRKD3 (0.59) PRKD3METROCK2ROCK1CSNK2A1
SCHEMBL877936 0.81 ROCK2 (0.47) PRKD3METROCK2ROCK1AURKB
SCHEMBL878170 0.80 EGFR (0.47) PRKD3METROCK2ROCK1CSNK2A1
SCHEMBL877965 0.80 ROCK2 (0.59) PRKD3METROCK2ROCK1CSNK2A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 EP disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 WO disclosed