SCHEMBL30554422

SCHEMBL30554422

C[C@H]1CN(C(C(=O)NNC(=O)C2CC2)c2ccc(F)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ TACR1 P25103 3/20 0.35
▸ RORC P51449 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 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
SCHEMBL21910267 1.00 KMT2A (0.37) KMT2ATACR1RORCGPR119MEN1
SCHEMBL30554424 1.00 KMT2A (0.37) KMT2ATACR1RORCGPR119MEN1
SCHEMBL21910251 0.92 TACR1 (0.34) KMT2ATACR1RORCGPR119MEN1
SCHEMBL30554407 0.92 TACR1 (0.34) KMT2ATACR1RORCGPR119MEN1
SCHEMBL21911495 0.90 TACR1 (0.38) KMT2ATACR1RORCGPR119MEN1
SCHEMBL25327588 0.87 L3MBTL1 (0.36) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL21831643 0.87 L3MBTL1 (0.36) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL21910374 0.86 TACR1 (0.37) KMT2ATACR1GPR119MEN1MMP13
SCHEMBL30554486 0.86 TACR1 (0.37) KMT2ATACR1GPR119MEN1MMP13
SCHEMBL25138125 0.84 TACR1 (0.40) KMT2ATACR1RORCGPR119MEN1

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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