SCHEMBL30422106

SCHEMBL30422106

Cn1c(=O)c([N+](=O)[O-])c(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nc(C#N)ccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 10/20 0.79
DGKZ Q13574 9/20 0.79
DGKI O75912 3/20 0.79
DGKG P49619 2/20 0.79
DGKB Q9Y6T7 2/20 0.79
DGKK Q5KSL6 1/20 0.79
CHRM2 P08172 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
TBXA2R P21731 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
BCL2 P10415 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL23293351 1.00 DGKA (0.79) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293353 1.00 DGKA (0.79) DGKADGKZDGKIDGKGDGKB
SCHEMBL30616465 0.95 DGKA (0.83) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293196 0.95 DGKA (0.83) DGKADGKZDGKIDGKGDGKB
SCHEMBL29654799 0.88 DGKA (1.00) DGKADGKZDGKIDGKGDGKB
SCHEMBL21830991 0.88 DGKA (1.00) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293267 0.88 DGKA (0.72) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293583 0.87 DGKA (0.77) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293580 0.87 DGKA (0.77) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293283 0.85 DGKZ (0.68) DGKADGKZDGKIDGKGDGKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814347-B1 NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-03 EP disclosed