SCHEMBL5048245

SCHEMBL5048245

[CH2]C(N(CCC)CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1)(C(C)(C)C)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.60
PDGFRB P09619 6/20 0.60
FLT4 P35916 6/20 0.60
AURKA O14965 9/20 0.53
KDR P35968 7/20 0.51
AURKB Q96GD4 6/20 0.51
EGFR P00533 4/20 0.51
KIT P10721 4/20 0.51
PDGFRA P16234 3/20 0.51
RIPK2 O43353 2/20 0.51
LCK P06239 2/20 0.51
LYN P07948 2/20 0.51
RET P07949 2/20 0.51
HCK P08631 2/20 0.51
CSNK2A2 P19784 2/20 0.51
MST1R Q04912 2/20 0.51
MAP2K5 Q13163 2/20 0.51
AURKC Q9UQB9 2/20 0.51
MAP4K5 Q9Y4K4 2/20 0.51
FLT1 P17948 2/20 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
SCHEMBL2048938 0.87 AURKA (0.69) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL5133320 0.86 FLT3 (0.62) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL2053538 0.86 AURKA (0.69) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL2053145 0.85 FLT3 (0.69) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL3429130 0.85 AURKA (0.57) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL5133407 0.84 FLT3 (0.62) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL2052351 0.84 AURKA (0.65) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL2049852 0.83 PDGFRB (0.63) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL2053120 0.83 AURKA (0.70) FLT3PDGFRBFLT4AURKAKDR
SCHEMBL5133213 0.83 FLT3 (0.62) FLT3PDGFRBFLT4AURKAKDR

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 disclosed