SCHEMBL7140673

SCHEMBL7140673

COc1cc2c(Nc3cc(F)cc4ccoc34)ncnc2cc1OCCCC1CCNC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.57
EGFR P00533 9/20 0.57
FGFR1 P11362 9/20 0.57
FLT1 P17948 9/20 0.57
FLT4 P35916 8/20 0.57
SRC P12931 3/20 0.52
EPHA2 P29317 5/20 0.52
AXL P30530 1/20 0.46
TYRO3 Q06418 1/20 0.46
MERTK Q12866 1/20 0.46
RET P07949 1/20 0.46
KIF5B P33176 1/20 0.46

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
SCHEMBL7252484 0.84 KDR (0.66) KDREGFRFGFR1FLT1FLT4
SCHEMBL7150412 0.82 KDR (0.56) KDREGFRFGFR1FLT1FLT4
SCHEMBL7148463 0.81 KDR (0.56) KDREGFRFGFR1FLT1FLT4
SCHEMBL3678100 0.80 KDR (0.71) KDREGFRFGFR1FLT1FLT4
SCHEMBL3668100 0.80 KDR (0.71) KDREGFRFGFR1FLT1FLT4
SCHEMBL3670246 0.80 KDR (0.70) KDREGFRFGFR1FLT1FLT4
SCHEMBL7147819 0.80 KDR (0.66) KDREGFRFGFR1FLT1FLT4
SCHEMBL3673833 0.79 SRC (0.81) KDREGFRFGFR1FLT1FLT4
SCHEMBL7146877 0.79 SRC (0.65) KDREGFRFGFR1FLT1FLT4
SCHEMBL7848480 0.77 RET (0.70) 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-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed