SCHEMBL5764865

SCHEMBL5764865

CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)c3c2)cs1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.85
ERBB2 P04626 12/20 0.85
MEN1 O00255 3/20 0.85
KMT2A Q03164 3/20 0.85
MAPK1 P28482 2/20 0.85
CYP3A4 P08684 2/20 0.84
KDM4E B2RXH2 1/20 0.84
ALDH1A1 P00352 1/20 0.84
MAPT P10636 1/20 0.84
ALOX15 P16050 1/20 0.84
HSD17B10 Q99714 1/20 0.84
ABCB11 O95342 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
ABL1 P00519 1/20 0.63
INSR P06213 1/20 0.63
RET P07949 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
SCHEMBL4007417 0.94 EGFR (0.76) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4010606 0.94 EGFR (0.76) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4005900 0.93 EGFR (0.75) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL2102233 0.93 EGFR (0.87) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4008093 0.93 EGFR (0.74) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4010951 0.93 EGFR (0.74) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL2099999 0.93 EGFR (0.84) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL2101754 0.92 EGFR (0.85) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL114539 0.92 EGFR (1.00) EGFRERBB2MEN1KMT2AMAPK1
SCHEMBL4012123 0.92 EGFR (0.72) EGFRERBB2MEN1KMT2AMAPK1

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