SCHEMBL25327867

SCHEMBL25327867

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ DPP8 Q6V1X1 5/20 0.34
▸ CACNA1B Q00975 2/20 0.34
▸ KIT P10721 3/20 0.34
▸ DPP4 P27487 3/20 0.33
▸ GRM7 Q14831 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 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
SCHEMBL21831016 1.00 MAPK14 (0.37) MAPK14ALDH1A1DPP8CACNA1BKIT
SCHEMBL21831810 0.86 MAPK14 (0.37) MAPK14DPP8CACNA1BKITDPP4
SCHEMBL25328216 0.86 MAPK14 (0.37) MAPK14DPP8CACNA1BKITDPP4
SCHEMBL21910374 0.85 TACR1 (0.37) MAPK14ALDH1A1HDAC1HDAC2
SCHEMBL30554486 0.85 TACR1 (0.37) MAPK14ALDH1A1HDAC1HDAC2
SCHEMBL21831526 0.84 ALDH1A1 (0.38) MAPK14ALDH1A1DPP4DPP7
SCHEMBL23579491 0.84 CYP2D6 (0.35) MAPK14DPP8CACNA1BDPP4DPP7
SCHEMBL25327588 0.83 L3MBTL1 (0.36) MAPK14ALDH1A1
SCHEMBL21831643 0.83 L3MBTL1 (0.36) MAPK14ALDH1A1
SCHEMBL21831647 0.82 MAPK14 (0.35) MAPK14ALDH1A1DPP8CACNA1BKIT

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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