SCHEMBL4604150

SCHEMBL4604150

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC(C(=O)OC(C)(C)C)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.64
EGFR P00533 13/20 0.64
FLT1 P17948 12/20 0.64
FGFR1 P11362 11/20 0.64
FLT4 P35916 10/20 0.64
RET P07949 2/20 0.59
KIF5B P33176 2/20 0.59
EPHA2 P29317 4/20 0.54
EPHB4 P54760 3/20 0.52
PDGFRB P09619 2/20 0.52
TEK Q02763 2/20 0.52
BMPR1B O00238 1/20 0.52
PLK4 O00444 1/20 0.52
CIT O14578 1/20 0.52
GAK O14976 1/20 0.52
EPHB6 O15197 1/20 0.52
RIPK2 O43353 1/20 0.52
ROCK2 O75116 1/20 0.52
STK10 O94804 1/20 0.52
MAP4K4 O95819 1/20 0.52

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
SCHEMBL7476474 0.93 KDR (0.63) KDREGFRFLT1FGFR1FLT4
SCHEMBL7482777 0.91 KDR (0.62) KDREGFRFLT1FGFR1FLT4
SCHEMBL1008026 0.85 KDR (0.72) KDREGFRFLT1FGFR1FLT4
Trifluoroacetic Acid SCHEMBL6902285 0.85 KDR (0.65) KDREGFRFLT1FGFR1FLT4
Water SCHEMBL27735443 0.84 KDR (0.71) KDREGFRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL6454560 0.84 KDR (0.71) KDREGFRFLT1FGFR1FLT4
SCHEMBL5912648 0.79 ENPP1 (0.43) KDREGFRFLT1FGFR1FLT4
SCHEMBL5424040 0.78 KDR (1.00) KDREGFRFLT1FGFR1FLT4
SCHEMBL4577163 0.78 EGFR (0.67) KDREGFR
SCHEMBL31319937 0.78 KDR (0.84) KDREGFRFLT1FGFR1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943240-A2 CHEMICAL PROCESS Astra Zeneca AB (SE) 2008-07-16 EP disclosed
WO-2007036713-A2 CHEMICAL PROCESS ASTRAZENECA AB (SE) 2007-04-05 WO disclosed
EP-1446124-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE AstraZeneca AB (SE) 2004-08-18 EP disclosed
WO-2003039551-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-1244647-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed