SCHEMBL1721716

SCHEMBL1721716

COCCOc1cc2c(Nc3ccc4[nH]ncc4c3)nc(-c3cccc(O)c3)nc2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.60
PRKD3 O94806 2/20 0.60
MET P08581 1/20 0.60
RET P07949 2/20 0.56
FGFR1 P11362 1/20 0.56
FLT1 P17948 1/20 0.56
EGFR P00533 2/20 0.51
PIK3CA P42336 1/20 0.51
ROCK1 Q13464 3/20 0.51
CSNK2A1 P68400 2/20 0.51
STK3 Q13188 2/20 0.51
AURKB Q96GD4 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
STK17A Q9UEE5 2/20 0.51
CLK2 P49760 1/20 0.51
BLK P51451 1/20 0.51
DYRK1A Q13627 1/20 0.51
PLK4 O00444 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47

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
SCHEMBL1724075 0.91 ROCK2 (0.58) ROCK2PRKD3METRETFGFR1
SCHEMBL10221629 0.91 PRKD3 (0.60) ROCK2PRKD3METRETFGFR1
SCHEMBL14201333 0.91 ROCK2 (0.58) ROCK2PRKD3METRETFGFR1
SCHEMBL21136954 0.90 ROCK2 (0.62) ROCK2PRKD3METRETFGFR1
SCHEMBL882709 0.88 PRKD3 (0.76) ROCK2PRKD3METPIK3CAROCK1
SCHEMBL882766 0.86 ROCK2 (0.81) ROCK2PRKD3METRETFGFR1
SCHEMBL877484 0.86 ROCK2 (0.81) ROCK2PRKD3METRETFGFR1
Hydrochloric Acid SCHEMBL877363 0.86 ROCK2 (0.80) ROCK2PRKD3METRETFGFR1
SCHEMBL876538 0.85 ROCK2 (0.74) ROCK2PRKD3METROCK1CSNK2A1
SCHEMBL1725280 0.85 ROCK2 (0.63) ROCK2PRKD3METRETEGFR

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