SCHEMBL5653661

SCHEMBL5653661

COc1cc2ncnc(Nc3ccc([N+](=O)[O-])cn3)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.73
EGFR P00533 12/20 0.58
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
KDR P35968 5/20 0.53
RET P07949 3/20 0.53
CLK1 P49759 1/20 0.53
LCK P06239 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
FLT1 P17948 1/20 0.51
GAK O14976 1/20 0.51
RIPK2 O43353 1/20 0.51
STK10 O94804 1/20 0.51
FLT3 P36888 1/20 0.51
JAK3 P52333 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
Q6ZSR9 Q6ZSR9 1/20 0.51

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
SCHEMBL5473767 0.85 ABCG2 (1.00) ABCG2EGFRKDRRETCLK1
Hydrochloric Acid SCHEMBL5478012 0.84 ABCG2 (0.98) ABCG2EGFRKDRRETCLK1
SCHEMBL5650807 0.84 SRC (0.65) ABCG2EGFRMAPTKDRRET
SCHEMBL27748217 0.81 ABCG2 (0.72) ABCG2EGFRMAPTALDH1A1HTT
SCHEMBL371602 0.80 ABCG2 (0.71) ABCG2EGFRMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL6786294 0.80 ABCG2 (0.71) ABCG2EGFRMAPTALDH1A1HTT
SCHEMBL5654317 0.80 EGFR (0.65) ABCG2EGFRKDRRETCLK1
SCHEMBL2099212 0.80 ABCG2 (1.00) ABCG2EGFRMAPTALDH1A1KDR
Hydrochloric Acid SCHEMBL5468096 0.79 ABCG2 (0.98) ABCG2EGFRMAPTALDH1A1KDR
SCHEMBL31554531 0.78 ABCG2 (0.68) ABCG2EGFRKDRRETCLK1

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
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed