SCHEMBL5134081

SCHEMBL5134081

COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@H]1C

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 4/20 0.75
PDGFRB P09619 3/20 0.75
FLT3 P36888 3/20 0.75
AURKA O14965 13/20 0.70
AURKB Q96GD4 3/20 0.63
KDR P35968 3/20 0.58
EGFR P00533 1/20 0.58
IGF1R P08069 1/20 0.58
FGFR1 P11362 1/20 0.58
SRC P12931 1/20 0.58
FGFR2 P21802 1/20 0.58
FGFR4 P22455 1/20 0.58
FGFR3 P22607 1/20 0.58
CDK2 P24941 1/20 0.58
CSK P41240 1/20 0.58
JAK3 P52333 1/20 0.58
PTK2 Q05397 1/20 0.58
CSF1R P07333 1/20 0.56

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
SCHEMBL5131783 1.00 FLT4 (0.75) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL3431187 0.93 AURKA (0.81) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL3429837 0.93 AURKA (0.81) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL5134078 0.93 FLT4 (0.74) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL5131774 0.93 FLT4 (0.74) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL3427425 0.90 FLT4 (0.70) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL3431855 0.90 FLT4 (0.70) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL2049095 0.90 FLT4 (0.72) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL5131974 0.90 AURKA (0.70) FLT4PDGFRBFLT3AURKAAURKB
SCHEMBL5131914 0.90 AURKA (0.70) FLT4PDGFRBFLT3AURKAAURKB

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-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP claimed