SCHEMBL30554407

SCHEMBL30554407

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ RORC P51449 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ KDM4D Q6B0I6 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL21910251 1.00 TACR1 (0.34) TACR1GPR119MEN1KMT2AMMP13
SCHEMBL30554422 0.92 KMT2A (0.37) TACR1GPR119MEN1KMT2AMMP13
SCHEMBL21910267 0.92 KMT2A (0.37) TACR1GPR119MEN1KMT2AMMP13
SCHEMBL30554424 0.92 KMT2A (0.37) TACR1GPR119MEN1KMT2AMMP13
SCHEMBL21911495 0.88 TACR1 (0.38) TACR1GPR119MEN1KMT2AMMP13
SCHEMBL25327934 0.87 MAPK14 (0.33) RORCMAPTMAPK1RAB9A
SCHEMBL21831342 0.87 MAPK14 (0.33) RORCMAPTMAPK1RAB9A
SCHEMBL21910374 0.84 TACR1 (0.37) TACR1GPR119MEN1KMT2AMMP13
SCHEMBL30554486 0.84 TACR1 (0.37) TACR1GPR119MEN1KMT2AMMP13
SCHEMBL25138125 0.81 TACR1 (0.40) TACR1GPR119MEN1KMT2AMMP13

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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