SCHEMBL1725282

SCHEMBL1725282

CN1CCN(c2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.61
TGFBR1 P36897 1/20 0.59
ROCK1 Q13464 3/20 0.57
AURKB Q96GD4 4/20 0.56
CLK2 P49760 2/20 0.56
DYRK1A Q13627 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
BLK P51451 1/20 0.56
CSNK2A1 P68400 1/20 0.56
STK3 Q13188 1/20 0.56
STK17A Q9UEE5 1/20 0.56
AURKA O14965 4/20 0.54
CHEK1 O14757 1/20 0.52
DAPK3 O43293 1/20 0.52
JAK2 O60674 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
ABL1 P00519 1/20 0.52
NTRK1 P04629 1/20 0.52

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
SCHEMBL1726008 0.83 ROCK2 (0.63) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL882717 0.83 ROCK2 (0.69) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL13154697 0.83 TGFBR1 (0.71) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL29395013 0.83 TGFBR1 (0.71) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL3789051 0.82 ROCK2 (0.68) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL3587569 0.81 TGFBR1 (0.69) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL1727391 0.80 ROCK2 (0.74) ROCK2ROCK1AURKBCLK2DYRK1A
SCHEMBL26389170 0.80 ROCK2 (0.70) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL31484231 0.80 ROCK2 (0.70) ROCK2TGFBR1ROCK1AURKBCLK2
SCHEMBL3590236 0.80 ROCK2 (0.78) ROCK2TGFBR1ROCK1AURKBCLK2

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 4 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 claimed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO claimed
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