SCHEMBL9687439

SCHEMBL9687439

O=C(O)c1cn(C2CC2)c2nc(N3CCNC(c4ccccc4)C3)c(Cl)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.54
CHRM2 P08172 2/20 0.41
DRD1 P21728 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KCNH2 Q12809 2/20 0.41
POLB P06746 2/20 0.41
OPRM1 P35372 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
TOP2A P11388 1/20 0.41
CYP2C9 P11712 1/20 0.41
TOP2B Q02880 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
SCHEMBL9686438 0.90 DPP4 (0.68) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9687446 0.89 DPP4 (0.43) DPP4CHRM2DRD1RPS6KB1PDE10A
SCHEMBL9686854 0.87 KDM4E (0.54) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9685613 0.84 DPP4 (0.68) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9686951 0.83 KDM4E (0.54) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9786140 0.81 DPP4 (0.53) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9786150 0.80 DPP4 (0.54) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9686444 0.79 DPP4 (0.54) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9687767 0.78 DPP4 (0.51) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8434121 0.77 ALDH1A1 (0.67) DPP4CHRM2KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed