SCHEMBL25328436

SCHEMBL25328436

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
DPP8 Q6V1X1 3/20 0.43
SLC6A9 P48067 2/20 0.42
DGKA P23743 3/20 0.41
DGKZ Q13574 3/20 0.41
OPRD1 P41143 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL21831278 1.00 MAPK14 (0.48) MAPK14DPP8SLC6A9DGKADGKZ
SCHEMBL21831860 1.00 MAPK14 (0.48) MAPK14DPP8SLC6A9DGKADGKZ
SCHEMBL21831485 1.00 MAPK14 (0.48) MAPK14DPP8SLC6A9DGKADGKZ
SCHEMBL21831371 0.86 SLC6A9 (0.57) MAPK14SLC6A9DGKADGKZOPRD1
SCHEMBL26925850 0.86 SLC6A9 (0.42) MAPK14SLC6A9OPRD1KDM4ECYP1A2
SCHEMBL25328550 0.86 SLC6A9 (0.57) MAPK14SLC6A9DGKADGKZOPRD1
SCHEMBL21831841 0.86 MAPK14 (0.40) MAPK14DPP8DGKADGKZOPRD1
SCHEMBL27034014 0.85 DPP8 (0.41) MAPK14DPP8SLC6A9DGKADGKZ
SCHEMBL21831875 0.85 DPP8 (0.39) MAPK14DPP8SLC6A9DGKADGKZ
SCHEMBL21831052 0.85 DPP8 (0.39) MAPK14DPP8SLC6A9DGKADGKZ

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