SCHEMBL9212274

SCHEMBL9212274

C[C@@H]1[C@@H](N)CN1c1nc2c(cc1F)c(=O)c(OC(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.57
FLT4 P35916 1/20 0.57
GSK3B P49841 1/20 0.57
RARB P10826 1/20 0.57
TBXAS1 P24557 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 2/20 0.56
LMNA P02545 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
XBP1 P17861 1/20 0.55
NFKB1 P19838 1/20 0.55
HTT P42858 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
DPP4 P27487 6/20 0.41
CHRM2 P08172 1/20 0.34

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
SCHEMBL9147028 0.89 EPHA2 (0.71) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9147035 0.89 EPHA2 (0.71) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9210974 0.85 GSK3B (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL5197287 0.84 EPHA2 (0.80) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL4602293 0.84 EPHA2 (0.80) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9217756 0.83 EPHA2 (0.42) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9212148 0.83 EPHA2 (0.42) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9217626 0.83 DPP4 (0.51) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9216283 0.83 DPP4 (0.51) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL5197108 0.82 KMT2A (0.81) EPHA2FLT4GSK3BRARBTBXAS1

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-0388298-B1 Derivatives of pyridone carboxylic acids substituted by an azetidine, their preparation and their use as medicines ESTEVE LABOR DR (ES) 1995-06-21 EP claimed