SCHEMBL7209586

SCHEMBL7209586

COc1cc2c(Oc3ccccc3)ncnc2cc1OCCOC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
KDR P35968 7/20 0.53
EGFR P00533 2/20 0.53
LCK P06239 2/20 0.53
RET P07949 1/20 0.53
KIF5B P33176 1/20 0.53
CSF1R P07333 2/20 0.53
PDGFRB P09619 2/20 0.53
FLT4 P35916 2/20 0.53
FLT3 P36888 1/20 0.53
IRAK1 P51617 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
PDGFRA P16234 4/20 0.51
KIT P10721 3/20 0.51
BRAF P15056 3/20 0.50
RAF1 P04049 2/20 0.50
AURKA O14965 1/20 0.49
TEK Q02763 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL17278108 0.85 KDM1A (0.73) KDM1AKDREGFRLCKRET
SCHEMBL13680204 0.82 KDR (0.73) KDREGFRLCKRETKIF5B
SCHEMBL7214444 0.82 KDR (0.63) KDM1AKDREGFRLCKRET
SCHEMBL19916574 0.81 KDM1A (0.78) KDM1AKDREGFRLCKRET
SCHEMBL5501376 0.80 KDR (0.66) KDREGFRLCKRETCSF1R
SCHEMBL18158553 0.80 KDR (0.70) KDREGFRLCKRETKIF5B
SCHEMBL7209956 0.80 KDR (0.58) KDM1AKDREGFRLCKRET
SCHEMBL4377465 0.80 KDR (0.65) KDREGFRLCKRETCSF1R
SCHEMBL4023315 0.79 PDGFRB (0.75) KDM1AKDREGFRLCKRET
SCHEMBL7215784 0.78 KDM1A (0.60) KDM1AKDREGFRLCKRET

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