SCHEMBL30554398

SCHEMBL30554398

C[C@H]1CN(C(c2ccc(F)cc2)c2nc(C3CC3)co2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 6/20 0.39
DGKZ Q13574 6/20 0.39
KDM4D Q6B0I6 1/20 0.34
MAPK14 Q16539 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HCRTR2 O43614 1/20 0.34
TACR1 P25103 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
NTRK1 P04629 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL21911507 1.00 DGKA (0.39) DGKADGKZKDM4DMAPK14CNR1
SCHEMBL25329619 0.87 DGKA (0.42) DGKADGKZMAPK14HCRTR2
SCHEMBL21831880 0.87 DGKA (0.42) DGKADGKZMAPK14HCRTR2
SCHEMBL30554480 0.86 DGKA (0.51) DGKADGKZKDM4DMAPK14HCRTR2
SCHEMBL25329438 0.86 DGKA (0.51) DGKADGKZKDM4DMAPK14HCRTR2
SCHEMBL29922480 0.83 MAPK14 (0.44) DGKADGKZKDM4DMAPK14TACR1
SCHEMBL30554491 0.83 MAPK14 (0.44) DGKADGKZKDM4DMAPK14TACR1
SCHEMBL29922490 0.83 MAPK14 (0.44) DGKADGKZKDM4DMAPK14TACR1
SCHEMBL29922715 0.83 MAPK14 (0.44) DGKADGKZKDM4DMAPK14TACR1
SCHEMBL26944415 0.83 MAPK14 (0.44) DGKADGKZKDM4DMAPK14TACR1

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