SCHEMBL20041998

SCHEMBL20041998

CS(=O)(=O)CCNCC1CC=C(c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.72
▸ ERBB2 P04626 15/20 0.72
▸ MEN1 O00255 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ ABCB11 O95342 2/20 0.72
▸ PIK3C2B O00750 1/20 0.72
▸ MAP2K7 O14733 1/20 0.72
▸ RIPK2 O43353 1/20 0.72
▸ PIK3C2G O75747 1/20 0.72
▸ STK10 O94804 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ INSR P06213 1/20 0.72
▸ RET P07949 1/20 0.72
▸ PDGFRB P09619 1/20 0.72
▸ SRC P12931 1/20 0.72
▸ CYP3A5 P20815 1/20 0.72
▸ ERBB3 P21860 1/20 0.72
▸ CDK2 P24941 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72

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
SCHEMBL11981743 0.84 EGFR (0.62) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL16766960 0.83 EGFR (1.00) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL8100 0.83 EGFR (1.00) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL29351024 0.83 EGFR (1.00) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL29464189 0.83 EGFR (1.00) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL3232064 0.83 EGFR (0.99) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL3637153 0.83 EGFR (0.99) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL4924110 0.83 EGFR (0.99) EGFRERBB2MEN1KMT2ACYP3A4
SCHEMBL13594227 0.83 EGFR (0.89) EGFRERBB2MEN1KMT2ACYP3A4
Lapatinib SCHEMBL3232460 0.83 EGFR (0.99) 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
EP-3266773-B1 PROCESS FOR THE PREPARATION OF LAPATINIB DITOSYLATE MONOHYDRATE BY MEANS OF AN IMPROVED CRYSTALLIZATION PROCEDURE FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2018-04-11 — — EP disclosed
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