SCHEMBL7209967

SCHEMBL7209967

COc1cc2c(=O)[nH]cnc2cc1OCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
EPHA2 P29317 1/20 0.52
EPHB4 P54760 1/20 0.52
KDM1A O60341 1/20 0.51
EGFR P00533 7/20 0.50
FGFR1 P11362 1/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
PDPK1 O15530 1/20 0.50
SRC P12931 4/20 0.49
FGFR2 P21802 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RET P07949 1/20 0.49
SYK P43405 1/20 0.48
AURKA O14965 1/20 0.48
RAF1 P04049 1/20 0.47
MAP2K1 Q02750 1/20 0.47

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
SCHEMBL29478512 0.95 KDM1A (0.57) KDREPHB4KDM1AEGFRFGFR1
SCHEMBL1734721 0.95 KDM1A (0.57) KDREPHB4KDM1AEGFRFGFR1
SCHEMBL29478513 0.95 KDM1A (0.57) KDREPHB4KDM1AEGFRFGFR1
SCHEMBL829762 0.95 KDM1A (0.57) KDREPHB4KDM1AEGFRFGFR1
Hydrochloric Acid SCHEMBL27988356 0.94 KDM1A (0.56) KDREPHB4KDM1AEGFRFGFR1
Hydrochloric Acid SCHEMBL4378504 0.94 KDM1A (0.56) KDREPHB4KDM1AEGFRFGFR1
SCHEMBL4986709 0.93 SRC (0.54) KDREPHA2EPHB4KDM1AEGFR
SCHEMBL5498950 0.90 EHMT2 (0.54) KDREPHA2EPHB4EGFRFGFR1
SCHEMBL4380551 0.89 EHMT2 (0.53) KDREPHA2EPHB4EGFRFGFR1
SCHEMBL7215157 0.89 EGFR (0.48) 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 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