SCHEMBL5042725

SCHEMBL5042725

CCOC(=O)Oc1nn(CC(=O)Nc2cccc(F)c2)cc1Nc1ncnc2cc(OCCCCl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.48
FLT3 P36888 4/20 0.48
FLT4 P35916 4/20 0.48
KDR P35968 9/20 0.47
AURKA O14965 6/20 0.47
AURKB Q96GD4 6/20 0.47
EGFR P00533 6/20 0.47
PDGFRA P16234 3/20 0.47
KIT P10721 3/20 0.47
RIPK2 O43353 2/20 0.47
LCK P06239 2/20 0.47
LYN P07948 2/20 0.47
RET P07949 2/20 0.47
HCK P08631 2/20 0.47
CSNK2A2 P19784 2/20 0.47
MST1R Q04912 2/20 0.47
MAP2K5 Q13163 2/20 0.47
AURKC Q9UQB9 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
FLT1 P17948 2/20 0.47

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
SCHEMBL2049622 0.89 PDGFRB (0.49) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL2052872 0.87 PDGFRB (0.52) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL5039339 0.87 AURKA (0.62) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL5042816 0.85 PDGFRB (0.51) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL2053145 0.81 FLT3 (0.69) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL6026358 0.80 PDGFRB (0.53) PDGFRBFLT3FLT4KDRAURKA
Hydrochloric Acid SCHEMBL5043171 0.80 KDR (0.52) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL5044572 0.78 AURKA (0.66) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL2049238 0.77 AURKA (0.64) PDGFRBFLT3FLT4KDRAURKA
SCHEMBL3424451 0.75 AURKA (0.66) PDGFRBFLT3FLT4KDRAURKA

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