SCHEMBL7209933

SCHEMBL7209933

COc1cc2c(Oc3ccccc3)ncnc2cc1OCCN1CCSCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.59
KDR P35968 8/20 0.58
FLT4 P35916 7/20 0.58
PDGFRB P09619 4/20 0.58
TEK Q02763 2/20 0.58
AURKB Q96GD4 2/20 0.58
CSF1R P07333 3/20 0.54
FLT1 P17948 3/20 0.54
FLT3 P36888 2/20 0.54
BRAF P15056 8/20 0.52
RAF1 P04049 7/20 0.52
EGFR P00533 2/20 0.51
RET P07949 1/20 0.51
KIF5B P33176 1/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL5501376 0.91 KDR (0.66) AURKAKDRFLT4PDGFRBTEK
SCHEMBL7211076 0.90 KDR (0.66) AURKAKDRFLT4PDGFRBTEK
SCHEMBL4377465 0.90 KDR (0.65) AURKAKDRFLT4PDGFRBTEK
SCHEMBL7209612 0.88 EGFR (0.62) AURKAKDRFLT4PDGFRBTEK
SCHEMBL19258467 0.88 AURKA (0.62) AURKAKDRFLT4PDGFRBTEK
SCHEMBL19258107 0.85 KDR (0.73) AURKAKDRFLT4PDGFRBTEK
SCHEMBL17278101 0.83 SRC (0.66) AURKAKDRFLT4PDGFRBTEK
SCHEMBL19258108 0.83 KDR (0.63) AURKAKDRFLT4PDGFRBTEK
SCHEMBL4023679 0.83 SRC (0.66) AURKAKDRFLT4PDGFRBTEK
SCHEMBL19258554 0.82 BRAF (0.63) AURKAKDRFLT4PDGFRBTEK

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