SCHEMBL7962820

SCHEMBL7962820

COc1cc2ncnc(Nc3c(F)cc(Br)cc3F)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.73
EGFR P00533 11/20 0.73
RET P07949 6/20 0.73
KIF5B P33176 6/20 0.73
FLT1 P17948 5/20 0.70
FGFR1 P11362 4/20 0.70
FLT4 P35916 3/20 0.70
FGFR2 P21802 1/20 0.69
FGFR4 P22455 1/20 0.69
FGFR3 P22607 1/20 0.69
ERBB2 P04626 2/20 0.60
MKNK1 Q9BUB5 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAK O14976 1/20 0.60
MAPK13 O15264 1/20 0.60
ABL1 P00519 1/20 0.60
CYP1A2 P05177 1/20 0.60
CDK1 P06493 1/20 0.60
CYP3A4 P08684 1/20 0.60
FBP1 P09467 1/20 0.60

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
Hydrochloric Acid SCHEMBL7215101 0.99 KDR (0.72) KDREGFRRETKIF5BFLT1
SCHEMBL2138034 0.90 KDR (0.61) KDREGFRRETKIF5BFLT1
SCHEMBL2137462 0.88 EGFR (0.64) KDREGFRRETKIF5BFLT1
SCHEMBL31554485 0.87 EGFR (0.64) KDREGFRRETKIF5BFLT1
SCHEMBL5864737 0.86 EGFR (0.78) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7209985 0.86 KDR (0.70) KDREGFRRETKIF5BFLT1
SCHEMBL5864525 0.85 KDR (1.00) KDREGFRRETKIF5BFLT1
SCHEMBL5864655 0.84 KDR (0.63) KDREGFRRETKIF5BFLT1
SCHEMBL2138023 0.84 KDR (1.00) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7864775 0.84 KDR (0.98) KDREGFRRETKIF5BFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP claimed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 WO claimed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 US disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 WO disclosed