SCHEMBL4798787

SCHEMBL4798787

CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NCc5cccnc5)c4)nc4ccc(O)cc34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
EEF2K O00418 1/20 0.46
MAP4K4 O95819 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3B P49841 1/20 0.46
PRKX P51817 1/20 0.46
NEK4 P51957 1/20 0.46
PRKG2 Q13237 1/20 0.46
PKN2 Q16513 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
AURKB Q96GD4 1/20 0.46
PBK Q96KB5 1/20 0.46
SLK Q9H2G2 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
MAPT P10636 5/20 0.44
USP2 O75604 2/20 0.44

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
SCHEMBL4783152 0.91 EGFR (0.43) ROCK2ROCK1CLK4EEF2KMAP4K4
SCHEMBL1727988 0.90 CYP1A2 (0.47) ROCK2CLK4MAPTUSP2CYP1A2
SCHEMBL4779942 0.90 CLK4 (0.44) ROCK2ROCK1CLK4EEF2KMAP4K4
SCHEMBL3792568 0.88 ABCG2 (0.57) ROCK2ROCK1EGFRITKMAPT
SCHEMBL4780062 0.87 EGFR (0.42) ROCK2ROCK1CLK4EEF2KMAP4K4
SCHEMBL878170 0.86 EGFR (0.47) ROCK2ROCK1CLK4EEF2KMAP4K4
SCHEMBL4784662 0.86 EGFR (0.43) ROCK2ROCK1CLK4EEF2KMAP4K4
SCHEMBL878169 0.85 PRKD3 (0.51) ROCK2ROCK1CLK4EEF2KMAP4K4
SCHEMBL1729984 0.82 ROCK2 (0.46) ROCK2CLK4MAPTUSP2CYP1A2
SCHEMBL1729245 0.82 MEN1 (0.45) ROCK2CLK4EGFRMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed