SCHEMBL6977518

SCHEMBL6977518

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC(O)CN(C)C.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC(O)CN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.63
EGFR P00533 14/20 0.63
FGFR1 P11362 10/20 0.63
FLT1 P17948 10/20 0.63
FLT4 P35916 9/20 0.63
RET P07949 2/20 0.60
KIF5B P33176 2/20 0.60
PDGFRB P09619 3/20 0.57
EPHA2 P29317 3/20 0.57
EPHB4 P54760 3/20 0.57
TEK Q02763 2/20 0.57
FGFR2 P21802 2/20 0.57
FGFR4 P22455 2/20 0.57
FGFR3 P22607 2/20 0.57
BMPR1B O00238 1/20 0.57
PLK4 O00444 1/20 0.57
CIT O14578 1/20 0.57
GAK O14976 1/20 0.57
EPHB6 O15197 1/20 0.57
RIPK2 O43353 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
SCHEMBL5452360 0.95 EGFR (0.68) KDREGFRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL5465111 0.95 EGFR (0.69) KDREGFRFGFR1FLT1FLT4
SCHEMBL5453241 0.95 KDR (0.69) KDREGFRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL5451307 0.94 EGFR (0.70) KDREGFRFGFR1FLT1FLT4
SCHEMBL6976247 0.93 EGFR (0.66) KDREGFRFGFR1FLT1FLT4
SCHEMBL5448866 0.91 KDR (0.73) KDREGFRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL5453290 0.90 KDR (0.71) KDREGFRFGFR1FLT1FLT4
SCHEMBL14564684 0.88 EGFR (0.74) KDREGFRFGFR1FLT1FLT4
SCHEMBL5755703 0.88 EGFR (0.74) KDREGFRFGFR1FLT1FLT4
SCHEMBL5451248 0.88 EGFR (0.72) KDREGFRFGFR1FLT1FLT4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274692-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
WO-2001077085-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed