SCHEMBL25328563

SCHEMBL25328563

CC1CN(C(=O)O)[C@@H](C)CN1C(C(=O)NNC(=O)OCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ RORC P51449 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSK P43235 2/20 0.36

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
SCHEMBL21831336 1.00 PDK1 (0.39) PDK1PDK2PDK3PDK4SLC6A3
SCHEMBL21911494 0.89 RORC (0.42) PDK1PDK2PDK3PDK4SLC6A3
SCHEMBL30554466 0.89 RORC (0.42) PDK1PDK2PDK3PDK4SLC6A3
SCHEMBL21831643 0.80 L3MBTL1 (0.36) MGLLALDH1A1MAPT
SCHEMBL25327588 0.80 L3MBTL1 (0.36) MGLLALDH1A1MAPT
SCHEMBL21831526 0.79 ALDH1A1 (0.38) LMNAALDH1A1MAPT
SCHEMBL25327934 0.79 MAPK14 (0.33) RORCMAPT
SCHEMBL21831342 0.79 MAPK14 (0.33) RORCMAPT
SCHEMBL25327867 0.78 MAPK14 (0.37) ALDH1A1
SCHEMBL21831016 0.78 MAPK14 (0.37) ALDH1A1

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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