SCHEMBL8367168

SCHEMBL8367168

CS(=O)(=O)CCNCCCCOc1ccc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.89
ERBB2 P04626 16/20 0.89
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP3A4 P08684 2/20 0.63
PIK3C2B O00750 1/20 0.63
MAP2K7 O14733 1/20 0.63
RIPK2 O43353 1/20 0.63
PIK3C2G O75747 1/20 0.63
STK10 O94804 1/20 0.63
ABCB11 O95342 1/20 0.63
ABL1 P00519 1/20 0.63
INSR P06213 1/20 0.63
RET P07949 1/20 0.63
PDGFRB P09619 1/20 0.63
SRC P12931 1/20 0.63
CYP3A5 P20815 1/20 0.63
ERBB3 P21860 1/20 0.63
CDK2 P24941 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL8366002 0.94 EGFR (1.00) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL6954806 0.84 EGFR (0.78) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL14090716 0.84 EGFR (0.79) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL8361665 0.82 EGFR (0.87) EGFRERBB2ERBB4AURKB
SCHEMBL14264605 0.82 EGFR (0.90) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL8366047 0.81 ERBB2 (0.90) EGFRERBB2
SCHEMBL2748246 0.81 EGFR (0.68) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL8368189 0.80 EGFR (0.87) EGFRERBB2ERBB4AURKB
SCHEMBL4003900 0.79 EGFR (0.72) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL4178252 0.79 EGFR (0.65) EGFRERBB2MEN1KMT2ACYP3A4

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