SCHEMBL5571128

SCHEMBL5571128

COc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCn1cccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.54
RET P07949 2/20 0.49
ROCK1 Q13464 3/20 0.46
AURKB Q96GD4 3/20 0.46
PRKD3 O94806 2/20 0.46
CSNK2A1 P68400 2/20 0.46
STK3 Q13188 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
STK17A Q9UEE5 2/20 0.46
PLK4 O00444 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
PHKG2 P15735 1/20 0.46
CDK2 P24941 1/20 0.46
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
MAP2K2 P36507 1/20 0.46
PRKCI P41743 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
PRKCQ Q04759 1/20 0.46

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
SCHEMBL877225 0.90 ROCK2 (0.66) ROCK2RETROCK1AURKBPRKD3
SCHEMBL877789 0.90 ROCK2 (0.61) ROCK2RETROCK1AURKBPRKD3
SCHEMBL877639 0.89 ROCK2 (0.55) ROCK2RETROCK1AURKBPRKD3
SCHEMBL3580880 0.81 RET (0.64) ROCK2RETROCK1AURKBPRKD3
SCHEMBL3794720 0.80 ROCK2 (0.75) ROCK2RETROCK1AURKBPRKD3
SCHEMBL877574 0.80 ROCK2 (0.67) ROCK2RETROCK1AURKBPRKD3
SCHEMBL877292 0.80 ROCK2 (0.72) ROCK2RETROCK1AURKBPRKD3
SCHEMBL1721958 0.80 ROCK2 (0.58) ROCK2RETROCK1AURKBPRKD3
SCHEMBL10221629 0.80 PRKD3 (0.60) ROCK2RETROCK1AURKBPRKD3
SCHEMBL3117095 0.79 ROCK2 (0.62) ROCK2ROCK1AURKBCSNK2A1STK3

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-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