SCHEMBL9687446

SCHEMBL9687446

O=C(O)Oc1cn(C2CC2)c2nc(N3CCNC(c4ccccc4)C3)c(Cl)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.43
PDE10A Q9Y233 4/20 0.40
PRKCQ Q04759 4/20 0.40
GSK3B P49841 2/20 0.36
BTK Q06187 1/20 0.36
RPS6KB1 P23443 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.35
CHRM2 P08172 1/20 0.34
DRD1 P21728 1/20 0.34
PRKCD Q05655 1/20 0.33

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
SCHEMBL9686444 0.90 DPP4 (0.54) DPP4PDE10AGSK3BCHRM2DRD1
SCHEMBL9687439 0.89 DPP4 (0.54) DPP4PDE10ARPS6KB1CHRM2DRD1
SCHEMBL9686860 0.87 KDM4E (0.44) DPP4CHRM2DRD1
SCHEMBL9685621 0.85 DPP4 (0.55) DPP4GSK3BCHRM2DRD1
SCHEMBL9686958 0.84 LMNA (0.41) DPP4CHRM2DRD1
SCHEMBL9686438 0.79 DPP4 (0.68) DPP4GSK3BCHRM2DRD1
SCHEMBL9687780 0.79 DPP4 (0.40) DPP4CHRM2DRD1
Hydrochloric Acid SCHEMBL9687485 0.78 DPP4 (0.40) DPP4CHRM2DRD1
SCHEMBL9636153 0.78 ALDH1A1 (0.53) CHRM2
SCHEMBL10873725 0.78 DPP4 (0.40) DPP4CHRM2DRD1

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 3 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
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