SCHEMBL14996742

SCHEMBL14996742

COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.82
KDM4E B2RXH2 2/20 0.82
MAPT P10636 2/20 0.82
MAPK1 P28482 2/20 0.82
FBP1 P09467 2/20 0.82
RAF1 P04049 2/20 0.82
SRC P12931 2/20 0.82
MEN1 O00255 1/20 0.82
GMNN O75496 1/20 0.82
ALDH1A1 P00352 1/20 0.82
ABL1 P00519 1/20 0.82
LMNA P02545 1/20 0.82
TP53 P04637 1/20 0.82
CYP1A2 P05177 1/20 0.82
GLA P06280 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2D6 P10635 1/20 0.82
HPGD P15428 1/20 0.82
ALOX15 P16050 1/20 0.82
NFKB1 P19838 1/20 0.82

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
Tyrphostin Ag-1478 SCHEMBL29350062 0.90 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL29483198 0.90 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL93838 0.90 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL31079458 0.90 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL5477838 0.89 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL31466723 0.89 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL30362802 0.89 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
SCHEMBL2102382 0.87 EGFR (0.82) EGFRKDM4EMAPTMAPK1FBP1
SCHEMBL3241479 0.87 KDR (0.82) EGFRKDM4EMAPTMAPK1FBP1
SCHEMBL5242610 0.87 KDR (0.81) EGFRKDM4EMAPTMAPK1FBP1

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-2061469-B1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2013-06-05 EP disclosed