SCHEMBL8366002

SCHEMBL8366002

CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
ERBB2 P04626 18/20 1.00
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP3A4 P08684 2/20 0.69
ABCB11 O95342 2/20 0.69
PIK3C2B O00750 1/20 0.69
MAP2K7 O14733 1/20 0.69
RIPK2 O43353 1/20 0.69
PIK3C2G O75747 1/20 0.69
STK10 O94804 1/20 0.69
ABL1 P00519 1/20 0.69
INSR P06213 1/20 0.69
RET P07949 1/20 0.69
PDGFRB P09619 1/20 0.69
SRC P12931 1/20 0.69
CYP3A5 P20815 1/20 0.69
ERBB3 P21860 1/20 0.69
CDK2 P24941 1/20 0.69
KCNH2 Q12809 1/20 0.69

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
SCHEMBL8367168 0.94 EGFR (0.89) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL14090716 0.88 EGFR (0.79) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL6954806 0.88 EGFR (0.78) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL8364101 0.84 ERBB2 (0.74) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL12200048 0.84 ERBB2 (0.75) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4010480 0.83 EGFR (0.87) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL13594227 0.83 EGFR (0.89) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL27736371 0.83 EGFR (0.70) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL2505727 0.83 ERBB2 (0.75) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL8363439 0.82 EGFR (1.00) EGFRERBB2

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