SCHEMBL25438144

SCHEMBL25438144

CCOC[C@@H]1CN(C(=O)O)[C@@H](C)CN1C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 3/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ DGKA P23743 2/20 0.33
▸ DGKZ Q13574 2/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL26925729 0.89 DGKA (0.38) DPP8MAPK14SIGMAR1OPRD1DGKA
SCHEMBL21831531 0.89 DGKA (0.38) DPP8MAPK14SIGMAR1OPRD1DGKA
SCHEMBL21910729 0.87 TACR1 (0.38) DPP8MAPK14DGKADGKZ
SCHEMBL26925710 0.87 DPP8 (0.39) DPP8MAPK14KDM4ECYP1A2CYP3A4
SCHEMBL21831112 0.86 MAPK14 (0.37) DPP8MAPK14SIGMAR1DGKADGKZ
SCHEMBL21831875 0.85 DPP8 (0.39) DPP8MAPK14SIGMAR1DGKADGKZ
SCHEMBL21831052 0.85 DPP8 (0.39) DPP8MAPK14SIGMAR1DGKADGKZ
SCHEMBL21831267 0.84 DPP8 (0.41) DPP8MAPK14SIGMAR1SLC6A9
SCHEMBL21831105 0.82 DGKA (0.42) DPP8SIGMAR1CYP2C9CYP2C19OPRD1
SCHEMBL26926180 0.82 DGKZ (0.43) CYP2C9CYP2C19DGKADGKZ

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
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