SCHEMBL5654317

SCHEMBL5654317

COc1cc2ncnc(Nc3ccc(N)cn3)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.65
KDR P35968 6/20 0.64
RET P07949 3/20 0.64
CLK1 P49759 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
LCK P06239 7/20 0.61
GAK O14976 2/20 0.60
FLT1 P17948 1/20 0.60
RIPK2 O43353 1/20 0.60
STK10 O94804 1/20 0.60
FLT3 P36888 1/20 0.60
JAK3 P52333 1/20 0.60
AAK1 Q2M2I8 1/20 0.60
Q6ZSR9 Q6ZSR9 1/20 0.60
SLK Q9H2G2 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
RPS6KA6 Q9UK32 1/20 0.60
ALK Q9UM73 1/20 0.60
SRC P12931 1/20 0.59
PDGFRB P09619 1/20 0.57

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
SCHEMBL3533221 0.84 EGFR (0.80) EGFRKDRRETCLK1ABCG2
Hydrochloric Acid SCHEMBL8871198 0.83 EGFR (0.80) EGFRKDRRETCLK1ABCG2
SCHEMBL5651634 0.82 SRC (0.72) EGFRKDRRETABCG2LCK
SCHEMBL5652748 0.80 KDR (0.72) EGFRKDRRETCLK1ABCG2
SCHEMBL5653661 0.80 ABCG2 (0.73) EGFRKDRRETCLK1ABCG2
SCHEMBL6793966 0.79 KDR (0.74) EGFRKDRRETCLK1ABCG2
SCHEMBL5569018 0.78 KDR (1.00) EGFRKDRRETCLK1ABCG2
SCHEMBL2206623 0.78 KDR (0.78) EGFRKDRRETCLK1FLT1
SCHEMBL29693554 0.78 KDR (0.78) EGFRKDRRETCLK1FLT1
SCHEMBL15580162 0.78 KDR (0.65) EGFRKDRRETCLK1ABCG2

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