SCHEMBL30554466

SCHEMBL30554466

C[C@H]1CN(C(C(=O)NNC(=O)OCc2ccccc2)c2ccc(F)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.42
▸ PDK1 Q15118 2/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ PDK3 Q15120 2/20 0.41
▸ PDK4 Q16654 2/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ CTSL P07711 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ SYK P43405 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL21911494 1.00 RORC (0.42) RORCPDK1PDK2PDK3PDK4
SCHEMBL25328563 0.89 PDK1 (0.39) RORCPDK1PDK2PDK3PDK4
SCHEMBL21831336 0.89 PDK1 (0.39) RORCPDK1PDK2PDK3PDK4
SCHEMBL21911495 0.85 TACR1 (0.38) RORCBACE1GPR119
SCHEMBL21910267 0.83 KMT2A (0.37) RORCGPR119
SCHEMBL30554422 0.83 KMT2A (0.37) RORCGPR119
SCHEMBL30554424 0.83 KMT2A (0.37) RORCGPR119
SCHEMBL21910374 0.81 TACR1 (0.37) GPR119
SCHEMBL30554486 0.81 TACR1 (0.37) GPR119
SCHEMBL21910251 0.81 TACR1 (0.34) RORCBACE1GPR119

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
Send feedback