SCHEMBL1729082

SCHEMBL1729082

COc1cc2nc(-c3ccccc3-c3ccccc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCC(=O)N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.56
ROCK1 Q13464 3/20 0.50
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
CLK2 P49760 1/20 0.49
BLK P51451 1/20 0.49
DYRK1A Q13627 1/20 0.49
RET P07949 1/20 0.48
PRKD3 O94806 2/20 0.48
PLK4 O00444 1/20 0.48
CHEK2 O96017 1/20 0.48
PRKCG P05129 1/20 0.48
PHKG2 P15735 1/20 0.48
CDK2 P24941 1/20 0.48
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
MAP2K2 P36507 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
SCHEMBL1729081 0.94 ROCK2 (0.58) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL876735 0.93 ROCK2 (0.59) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL3808498 0.89 ROCK2 (0.57) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL3794722 0.83 ROCK2 (0.71) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL1727391 0.82 ROCK2 (0.74) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL3808492 0.82 ROCK2 (0.59) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL877209 0.81 ROCK2 (0.60) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL877574 0.81 ROCK2 (0.67) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL877789 0.80 ROCK2 (0.61) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL878381 0.79 ROCK2 (0.67) ROCK2ROCK1CSNK2A1STK3AURKB

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-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