SCHEMBL6165440

SCHEMBL6165440

CCOC(=O)/C=C/c1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.66
PDGFRA P16234 1/20 0.56
CSF1R P07333 4/20 0.54
FDPS P14324 1/20 0.54
FLT4 P35916 4/20 0.53
FLT1 P17948 1/20 0.53
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
AURKA O14965 1/20 0.52
MET P08581 1/20 0.52
TEK Q02763 1/20 0.52
AURKB Q96GD4 1/20 0.52
PDGFRB P09619 3/20 0.50
FLT3 P36888 3/20 0.50
RET P07949 1/20 0.50
KIF5B P33176 1/20 0.50

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
SCHEMBL6162705 0.86 KDR (0.62) KDRPDGFRACSF1RFLT4FLT1
SCHEMBL6162721 0.86 KDR (0.62) KDRPDGFRACSF1RFLT4FLT1
SCHEMBL6162829 0.81 KDR (0.70) KDR
SCHEMBL6162952 0.81 KDR (0.70) KDR
SCHEMBL30448369 0.80 KDR (0.69) KDRPDGFRACSF1RFLT4RAF1
SCHEMBL28464530 0.80 KDR (0.69) KDRPDGFRACSF1RFLT4RAF1
SCHEMBL22165293 0.79 KDR (0.63) KDRPDGFRACSF1RFLT4AURKA
SCHEMBL22164824 0.77 PDGFRB (0.64) KDRPDGFRACSF1RFLT4PDGFRB
SCHEMBL5824501 0.76 KDR (0.66) KDRPDGFRACSF1RFLT4BRAF
SCHEMBL26791130 0.76 FDPS (0.62) FDPSMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218357-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-06 EP claimed