SCHEMBL5764747

SCHEMBL5764747

CS(=O)(=O)CCNCc1ccc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(F)c4)ncnc3cc2F)o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.73
ERBB2 P04626 14/20 0.73
ABCB11 O95342 2/20 0.73
MEN1 O00255 1/20 0.73
PIK3C2B O00750 1/20 0.73
MAP2K7 O14733 1/20 0.73
RIPK2 O43353 1/20 0.73
PIK3C2G O75747 1/20 0.73
STK10 O94804 1/20 0.73
ABL1 P00519 1/20 0.73
INSR P06213 1/20 0.73
RET P07949 1/20 0.73
CYP3A4 P08684 1/20 0.73
PDGFRB P09619 1/20 0.73
SRC P12931 1/20 0.73
CYP3A5 P20815 1/20 0.73
ERBB3 P21860 1/20 0.73
CDK2 P24941 1/20 0.73
KMT2A Q03164 1/20 0.73
KCNH2 Q12809 1/20 0.73

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
SCHEMBL5761814 0.94 EGFR (0.70) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL3318433 0.94 EGFR (0.83) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL5765052 0.94 EGFR (0.76) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL3324109 0.94 EGFR (0.69) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL3324845 0.93 EGFR (0.83) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2101983 0.91 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL5765643 0.90 EGFR (0.72) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL12029767 0.88 EGFR (0.73) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2101044 0.88 EGFR (0.80) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL3322326 0.88 EGFR (0.80) EGFRERBB2ABCB11MEN1PIK3C2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 EP claimed
EP-1460072-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-09-22 EP claimed
EP-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 EP disclosed
EP-1460072-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed