SCHEMBL5132856

SCHEMBL5132856

C#CN(CC)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 4/20 0.77
PDGFRB P09619 3/20 0.77
FLT3 P36888 3/20 0.77
AURKA O14965 11/20 0.62
CSF1R P07333 1/20 0.59
AURKB Q96GD4 4/20 0.56
EGFR P00533 4/20 0.54
KDR P35968 2/20 0.54
IGF1R P08069 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
CDK2 P24941 1/20 0.49
CSK P41240 1/20 0.49
JAK3 P52333 1/20 0.49
PTK2 Q05397 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 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
SCHEMBL5132381 0.94 FLT4 (0.76) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL3429103 0.91 FLT4 (0.83) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2048840 0.90 FLT4 (0.82) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2048681 0.90 FLT4 (0.81) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL5133965 0.90 AURKA (0.63) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2053127 0.89 FLT4 (0.77) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2051635 0.89 FLT4 (0.77) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2047693 0.89 FLT4 (0.82) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2049092 0.89 FLT4 (0.78) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2051707 0.89 FLT4 (0.78) FLT4PDGFRBFLT3AURKACSF1R

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