SCHEMBL8365488

SCHEMBL8365488

[O-][S+]1CCN(CCNc2ccc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.56
AURKB Q96GD4 9/20 0.56
ERBB2 P04626 8/20 0.56
ERBB4 Q15303 2/20 0.56
CHEK2 O96017 1/20 0.56
ROS1 P08922 1/20 0.56
FLT3 P36888 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
AURKA O14965 6/20 0.47
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
FGFR2 P21802 1/20 0.44
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
SCHEMBL8364234 0.94 EGFR (0.53) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8366024 0.93 EGFR (0.59) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8364453 0.89 EGFR (0.57) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8367797 0.89 EGFR (0.57) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8361696 0.88 EGFR (0.58) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8361805 0.88 AURKB (0.61) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8515724 0.87 EGFR (0.52) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8367372 0.87 AURKB (0.58) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8367261 0.87 EGFR (0.55) EGFRAURKBERBB2ERBB4CHEK2
SCHEMBL8361794 0.86 EGFR (0.59) EGFRAURKBERBB2ERBB4CHEK2

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