SCHEMBL877065

SCHEMBL877065

CCCCNc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3cc(O)c(OC)cc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.45
ITK Q08881 1/20 0.45
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 2/20 0.41
SYK P43405 1/20 0.41
EEF2K O00418 1/20 0.41
MAP4K4 O95819 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41
PRKG2 Q13237 1/20 0.41
PKN2 Q16513 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41
SLK Q9H2G2 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
CHEK2 O96017 1/20 0.40

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
SCHEMBL1724776 0.91 ROCK2 (0.44) EGFRROCK2SYKABCG2ERBB2
SCHEMBL877936 0.91 ROCK2 (0.47) EGFRITKROCK2ROCK1SYK
SCHEMBL877064 0.91 ROCK2 (0.51) EGFRITKROCK2ROCK1SYK
SCHEMBL878170 0.89 EGFR (0.47) EGFRITKROCK2ROCK1SYK
SCHEMBL877114 0.88 ABCG2 (0.45) EGFRITKROCK2ROCK1SYK
SCHEMBL4779942 0.87 CLK4 (0.44) EGFRITKROCK2ROCK1SYK
SCHEMBL877115 0.86 ABCG2 (0.47) EGFRITKROCK2ROCK1EEF2K
SCHEMBL877216 0.85 ABCG2 (0.53) ABCG2ABCB1
SCHEMBL3793329 0.85 ABCG2 (0.54) EGFRITKROCK2SYKABCG2
SCHEMBL877259 0.84 EGFR (0.45) EGFRITKROCK2ROCK1SYK

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
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed