SCHEMBL7610001

SCHEMBL7610001

CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3C[C@@H]4[C@@H](N)[C@@H]4C3)c(F)cc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.77
FLT4 P35916 1/20 0.77
GSK3B P49841 1/20 0.77
RARB P10826 1/20 0.77
TBXAS1 P24557 1/20 0.77
SLC6A3 Q01959 1/20 0.77
KDM4E B2RXH2 4/20 0.72
HPGD P15428 4/20 0.72
ALDH1A1 P00352 3/20 0.72
HSD17B10 Q99714 3/20 0.72
LMNA P02545 2/20 0.72
POLB P06746 1/20 0.72
XBP1 P17861 1/20 0.72
NFKB1 P19838 1/20 0.72
HTT P42858 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
KMT2A Q03164 1/20 0.62
DPP4 P27487 5/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL7610008 1.00 EPHA2 (0.77) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL10552247 0.89 KMT2A (0.79) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8735762 0.88 LMNA (0.79) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL9177464 0.87 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL29384064 0.87 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL34465 0.87 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL34466 0.87 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL29688441 0.87 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL20769811 0.87 EPHA2 (1.00) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin SCHEMBL13575805 0.87 EPHA2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833837-B1 PROCESS FOR PREPARING DERIVATIVES OF AZABICYCLO NAPHTHYRIDINE CARBOXYLIC ACID COMPRISING A DIPEPTIDE PFIZER (US) 2002-07-31 EP disclosed
US-5939550-A Process for preparing derivatives of azabicyclo naphthyridine carboxylic acid comprising a dipeptide PFIZER INC. (US) 1999-08-17 US disclosed