SCHEMBL5959000

SCHEMBL5959000

COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCC[S+](C)[O-]

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.76
RET P07949 11/20 0.76
KIF5B P33176 7/20 0.76
FLT1 P17948 5/20 0.76
FGFR1 P11362 4/20 0.76
EGFR P00533 5/20 0.64
FLT4 P35916 3/20 0.64
FGFR2 P21802 1/20 0.63
FGFR4 P22455 1/20 0.63
FGFR3 P22607 1/20 0.63
RAF1 P04049 1/20 0.58
BRAF P15056 1/20 0.58

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
SCHEMBL6360236 0.90 KDR (0.65) KDRRETKIF5BFLT1FGFR1
SCHEMBL7214452 0.88 KDR (0.84) KDRRETKIF5BFLT1FGFR1
SCHEMBL7211043 0.88 KDR (0.84) KDRRETKIF5BFLT1FGFR1
SCHEMBL5958928 0.87 KDR (1.00) KDRRETKIF5BFLT1FGFR1
Hydrochloric Acid SCHEMBL7215782 0.87 KDR (0.82) KDRRETKIF5BFLT1FGFR1
Hydrochloric Acid SCHEMBL7215166 0.86 KDR (0.98) KDRRETKIF5BFLT1FGFR1
SCHEMBL7209924 0.85 KDR (0.79) KDRRETKIF5BFLT1FGFR1
SCHEMBL7211032 0.84 KDR (0.76) KDRRETKIF5BFLT1FGFR1
SCHEMBL7215164 0.84 KDR (0.76) KDRRETKIF5BFLT1FGFR1
SCHEMBL8707090 0.82 RET (0.71) KDRRETKIF5BFLT1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880508-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2003-04-16 EP claimed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 US claimed
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
EP-1407261-A4 IN VIVO BIOREACTORS MASSACHUSETTS INST TECHNOLOGY (US) 2006-11-22 EP disclosed
EP-1407261-A1 IN VIVO BIOREACTORS Massachusetts Institute of Technology (US) 2004-04-14 EP disclosed
EP-0880508-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
WO-2002101385-A1 IN VIVO BIOREACTORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-12-19 WO disclosed
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