SCHEMBL5548758

SCHEMBL5548758

CC(C)(C)c1cc(NC(=O)Nc2cc(F)c(F)cc2F)n(-c2cc(CN(C=O)NI)c3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 4/20 0.50
MAPK11 Q15759 4/20 0.50
DDR2 Q16832 3/20 0.49
MAPK9 P45984 2/20 0.47
SRC P12931 1/20 0.47
RET P07949 6/20 0.47
CDK8 P49336 6/20 0.47
PDGFRA P16234 5/20 0.47
PAK4 O96013 3/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
AURKB Q96GD4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TAOK1 Q7L7X3 2/20 0.46
PRKD3 O94806 3/20 0.45
GSK3B P49841 2/20 0.45
MAP4K2 Q12851 2/20 0.45
NTRK1 P04629 2/20 0.45
LTK P29376 2/20 0.45

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
SCHEMBL5542484 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082254 0.86 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083033 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082539 0.84 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083384 0.82 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2081519 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2085279 0.79 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2081569 0.78 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2081078 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2085293 0.77 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DDR2

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-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed