SCHEMBL7209617

SCHEMBL7209617

COc1cc2c(Nc3cc(OC(C)=O)c(Cl)cc3F)ncnc2cc1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.64
KDR P35968 14/20 0.60
RET P07949 8/20 0.60
KIF5B P33176 7/20 0.60
FLT1 P17948 5/20 0.59
FGFR1 P11362 4/20 0.59
FLT4 P35916 3/20 0.59
FGFR2 P21802 1/20 0.59
FGFR4 P22455 1/20 0.59
FGFR3 P22607 1/20 0.59
MAPK14 Q16539 1/20 0.59
RAF1 P04049 2/20 0.58
BRAF P15056 2/20 0.58
RIPK2 O43353 1/20 0.54
SRC P12931 1/20 0.54
NOD1 Q9Y239 1/20 0.54
EPHB2 P29323 1/20 0.53

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
SCHEMBL7215142 0.86 KDR (0.75) EGFRKDRRETKIF5BFLT1
SCHEMBL7215154 0.84 MAPK14 (0.64) EGFRKDRRETKIF5BFLT1
SCHEMBL7209561 0.81 KDR (0.67) EGFRKDRRETKIF5BFLT1
SCHEMBL5958891 0.81 KDR (0.84) EGFRKDRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7448336 0.80 KDR (0.66) EGFRKDRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7211029 0.80 KDR (0.83) EGFRKDRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL4558015 0.80 EGFR (0.67) EGFRKDRRETKIF5BSRC
SCHEMBL1467058 0.79 KDR (0.83) EGFRKDRRETKIF5BFLT1
SCHEMBL13604779 0.79 EGFR (0.59) EGFRKDRRETKIF5BSRC
SCHEMBL7452247 0.79 MAPK14 (0.58) EGFRKDRRETKIF5BFLT1

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
EP-0880508-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2003-04-16 EP 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