SCHEMBL7841772

SCHEMBL7841772

C[C@H]1C=C[C@@H](N)[C@H]2CN(c3ncc4c(=O)c(OC(=O)O)cn(-c5ccc(F)cc5F)c4c3F)C[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
GSK3B P49841 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7841768 0.91 EPHA2 (0.56) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7854154 0.87 EPHA2 (0.45) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9416457 0.84 EPHA2 (0.41) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7854490 0.83 EPHA2 (0.55) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7841774 0.83 TOP2A (0.33) KDM4EALDH1A1POLBHPGDHSD17B10
Hydrochloric Acid SCHEMBL9416467 0.81 EPHA2 (0.48) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7853018 0.81 KDM4E (0.42) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7850852 0.80 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7854151 0.78 EPHA2 (0.55) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7849352 0.76

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed