SCHEMBL25329619

SCHEMBL25329619

CC1CN(C(=O)O)[C@@H](C)CN1C(c1ccc(F)cc1)c1nc(C2CC2)co1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGKA P23743 12/20 0.42
DGKZ Q13574 12/20 0.42
MAPK14 Q16539 2/20 0.37
HCRTR2 O43614 1/20 0.37
SLC6A9 P48067 1/20 0.33
DPP8 Q6V1X1 3/20 0.33
TACR3 P29371 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL21831880 1.00 DGKA (0.42) DGKADGKZMAPK14HCRTR2SLC6A9
SCHEMBL30554398 0.87 DGKA (0.39) DGKADGKZMAPK14HCRTR2
SCHEMBL21911507 0.87 DGKA (0.39) DGKADGKZMAPK14HCRTR2
SCHEMBL21831500 0.84 DGKA (0.55) DGKADGKZMAPK14HCRTR2
SCHEMBL25327774 0.84 DGKA (0.55) DGKADGKZMAPK14HCRTR2
SCHEMBL21831278 0.81 MAPK14 (0.48) DGKADGKZMAPK14SLC6A9DPP8
SCHEMBL25328436 0.81 MAPK14 (0.48) DGKADGKZMAPK14SLC6A9DPP8
SCHEMBL21831485 0.81 MAPK14 (0.48) DGKADGKZMAPK14SLC6A9DPP8
SCHEMBL21831860 0.81 MAPK14 (0.48) DGKADGKZMAPK14SLC6A9DPP8
SCHEMBL21831294 0.79 SIGMAR1 (0.41) DGKADGKZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed