SCHEMBL8367972

SCHEMBL8367972

[O-][S+]1CCN(CCc2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.54
ERBB2 P04626 14/20 0.54
AURKB Q96GD4 3/20 0.53
ERBB4 Q15303 2/20 0.53
CHEK2 O96017 1/20 0.53
ROS1 P08922 1/20 0.53
FLT3 P36888 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
INCENP Q9NQS7 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
SCHEMBL8367451 0.95 EGFR (0.52) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8368186 0.94 EGFR (0.52) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8367305 0.89 EGFR (0.60) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8515724 0.87 EGFR (0.52) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8367547 0.87 ERBB2 (0.52) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8367797 0.87 EGFR (0.57) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8367513 0.87 EGFR (0.51) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8365891 0.86 ERBB2 (0.54) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8365838 0.85 EGFR (0.58) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8364206 0.85 EGFR (0.51) EGFRERBB2AURKBERBB4CHEK2

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