SCHEMBL6662850

SCHEMBL6662850

COc1cc2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.74
EGFR P00533 6/20 0.68
MAPT P10636 5/20 0.68
KDM4E B2RXH2 3/20 0.68
MAPK1 P28482 3/20 0.68
TP53 P04637 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
FBP1 P09467 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
HPGD P15428 2/20 0.68
HSD17B10 Q99714 2/20 0.68
GMNN O75496 1/20 0.68
ALDH1A1 P00352 1/20 0.68
ABL1 P00519 1/20 0.68
LMNA P02545 1/20 0.68
RAF1 P04049 1/20 0.68
GLA P06280 1/20 0.68
CYP2D6 P10635 1/20 0.68

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
SCHEMBL6218711 0.89 EGFR (0.70) ABCG2EGFRMAPTKDM4EMAPK1
SCHEMBL5570060 0.88 FBP1 (0.74) ABCG2EGFRMAPTKDM4EMAPK1
Tyrphostin Ag-1478 SCHEMBL29350062 0.81 EGFR (1.00) ABCG2EGFRMAPTKDM4EMAPK1
Tyrphostin Ag-1478 SCHEMBL31079458 0.81 EGFR (1.00) ABCG2EGFRMAPTKDM4EMAPK1
Tyrphostin Ag-1478 SCHEMBL93838 0.81 EGFR (1.00) ABCG2EGFRMAPTKDM4EMAPK1
Tyrphostin Ag-1478 SCHEMBL29483198 0.81 EGFR (1.00) ABCG2EGFRMAPTKDM4EMAPK1
Tyrphostin Ag-1478 SCHEMBL5477838 0.80 EGFR (1.00) EGFRMAPTKDM4EMAPK1TP53
Tyrphostin Ag-1478 SCHEMBL30362802 0.80 EGFR (1.00) EGFRMAPTKDM4EMAPK1TP53
Tyrphostin Ag-1478 SCHEMBL31466723 0.80 EGFR (1.00) EGFRMAPTKDM4EMAPK1TP53
SCHEMBL2584929 0.79 NPY5R (0.80) ABCG2MAPTKDM4EMAPK1TP53

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-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO disclosed