SCHEMBL5652748

SCHEMBL5652748

COc1cc2ncnc(Nc3cnc(N)nc3)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.72
RET P07949 5/20 0.72
EGFR P00533 16/20 0.71
CLK1 P49759 1/20 0.71
ABCG2 Q9UNQ0 1/20 0.71
LCK P06239 6/20 0.69
SRC P12931 2/20 0.68
GAK O14976 2/20 0.67
PDGFRB P09619 1/20 0.65
PDGFRA P16234 1/20 0.65
KIF5B P33176 1/20 0.64
FLT1 P17948 1/20 0.64
RIPK2 O43353 1/20 0.64
STK10 O94804 1/20 0.64
FLT3 P36888 1/20 0.64
JAK3 P52333 1/20 0.64
AAK1 Q2M2I8 1/20 0.64
Q6ZSR9 Q6ZSR9 1/20 0.64
SLK Q9H2G2 1/20 0.64
IRAK4 Q9NWZ3 1/20 0.64

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
SCHEMBL5649924 0.88 EGFR (0.67) KDRRETEGFRCLK1ABCG2
SCHEMBL3533221 0.84 EGFR (0.80) KDRRETEGFRCLK1ABCG2
SCHEMBL5569018 0.84 KDR (1.00) KDRRETEGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL8871198 0.83 EGFR (0.80) KDRRETEGFRCLK1ABCG2
SCHEMBL5565137 0.83 EGFR (1.00) KDRRETEGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL1507643 0.83 KDR (0.97) KDRRETEGFRCLK1ABCG2
SCHEMBL6783334 0.82 KDR (0.74) KDRRETEGFRCLK1ABCG2
SCHEMBL5474772 0.81 KDR (1.00) KDRRETEGFRABCG2LCK
SCHEMBL6787016 0.81 KDR (0.74) KDRRETEGFRCLK1ABCG2
SCHEMBL20812874 0.81 EGFR (0.80) KDRRETEGFRCLK1ABCG2

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