SCHEMBL6100586

SCHEMBL6100586

COc1cc2c(Oc3ccc(Br)cc3F)ncnc2cc1OCCCN(C)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
KDR P35968 12/20 0.49
EGFR P00533 8/20 0.49
FLT1 P17948 3/20 0.47
FLT4 P35916 3/20 0.47
RET P07949 2/20 0.46
KIF5B P33176 2/20 0.46
AXL P30530 1/20 0.45
FGFR1 P11362 2/20 0.44
MET P08581 1/20 0.43
FBP1 P09467 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43

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
SCHEMBL4375640 0.85 TRPA1 (0.54) TRPA1KDREGFRFLT1FLT4
SCHEMBL1887966 0.84 KDR (0.71) KDREGFRFLT1FLT4RET
SCHEMBL4421666 0.84 TRPA1 (0.63) TRPA1KDREGFRFLT1FLT4
SCHEMBL4375675 0.84 TRPA1 (0.63) TRPA1KDREGFRFLT1FLT4
Hydrochloric Acid SCHEMBL6489998 0.83 KDR (0.70) KDREGFRFLT1FLT4RET
SCHEMBL4374482 0.81 TRPA1 (0.50) TRPA1KDREGFRFLT1FLT4
SCHEMBL6099797 0.77 KDR (0.46) KDREGFRFLT1FLT4RET
SCHEMBL4421590 0.77 TRPA1 (0.61) TRPA1KDREGFRFLT1FLT4
SCHEMBL4375574 0.77 ENPP1 (0.62) KDREGFR
SCHEMBL6101139 0.77 KDM1A (0.53) KDREGFRFLT4RETKIF5B

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
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed