SCHEMBL9685533

SCHEMBL9685533

CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CC1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.54
EPHA2 P29317 1/20 0.52
FLT4 P35916 1/20 0.52
GSK3B P49841 1/20 0.52
RARB P10826 1/20 0.52
TBXAS1 P24557 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 3/20 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
SCHEMBL9686968 1.00 DPP4 (0.54) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9685951 1.00 DPP4 (0.54) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9685965 1.00 DPP4 (0.54) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9686950 1.00 DPP4 (0.54) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL8919126 0.87 DPP4 (0.47) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9067749 0.86 EPHA2 (0.54) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9144116 0.85 DPP4 (0.47) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9144124 0.85 DPP4 (0.47) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL8385866 0.85 DPP4 (0.74) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9044442 0.85 KMT2A (0.67) DPP4EPHA2FLT4GSK3BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed