SCHEMBL29137245

SCHEMBL29137245

C#CCc1ccc(-n2c(=O)c([N+](=O)[O-])c(N3CCN(C(c4ccc(F)cc4)c4ccccc4O)CC3)c3nc(C#N)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 11/20 0.59
DGKZ Q13574 10/20 0.59
DGKI O75912 3/20 0.59
DGKG P49619 2/20 0.59
DGKB Q9Y6T7 2/20 0.59
DGKK Q5KSL6 1/20 0.59
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR7 P34969 1/20 0.31
GNRHR P30968 1/20 0.30
BRAF P15056 1/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL29137193 0.92 DGKA (0.61) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293504 0.87 DGKA (0.64) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293148 0.84 DGKZ (0.84) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293432 0.81 DGKA (0.66) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293427 0.80 DGKA (0.64) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293267 0.79 DGKA (0.72) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293219 0.78 DGKA (0.65) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293563 0.78 DGKZ (0.76) DGKADGKZDGKIDGKGDGKB
SCHEMBL30422576 0.78 DGKZ (0.76) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293461 0.78 DGKA (0.76) 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
CN-112585139-B Naphthyridinone compounds as T cell activators 百时美施贵宝公司 2023-12-01 CN disclosed