SCHEMBL8515724

SCHEMBL8515724

[O-][S+]1CCN(CCNc2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.52
ERBB2 P04626 10/20 0.52
ERBB4 Q15303 2/20 0.51
AURKB Q96GD4 2/20 0.51
CHEK2 O96017 1/20 0.51
ROS1 P08922 1/20 0.51
FLT3 P36888 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
JAK3 P52333 1/20 0.47
MAPK13 O15264 2/20 0.46
SRC P12931 2/20 0.46
MAP3K8 P41279 2/20 0.46
MAPK12 P53778 2/20 0.46
MAP2K1 Q02750 2/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK14 Q16539 2/20 0.46
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 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
SCHEMBL8364206 0.94 EGFR (0.51) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8366024 0.89 EGFR (0.59) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8365488 0.87 EGFR (0.56) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8367972 0.87 EGFR (0.54) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8367307 0.87 EGFR (0.52) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8367451 0.86 EGFR (0.52) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8367547 0.85 ERBB2 (0.52) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8368186 0.85 EGFR (0.52) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL8367388 0.85 EGFR (0.53) EGFRERBB2ERBB4JAK3MAPK13
SCHEMBL8367513 0.85 EGFR (0.51) EGFRERBB2ERBB4AURKBCHEK2

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-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed