SCHEMBL28455369

SCHEMBL28455369

CCCN(C)C(=O)c1cc(Cl)cc(C)c1N(C)C(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ MALT1 Q9UDY8 2/20 0.33
▸ HSP90AA1 P07900 3/20 0.33
▸ PDE11A Q9HCR9 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ AOC3 Q16853 1/20 0.31
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL28460675 0.93 DHODH (0.34) DHODHPDE11ANAMPTCNR1CNR2
SCHEMBL28460686 0.93 DHODH (0.38) DHODHMALT1PDE11AAOC3
SCHEMBL29019794 0.89 DHODH (0.40) DHODHMALT1CNR1CNR2
SCHEMBL28456835 0.89 DHODH (0.34) DHODHHSP90AA1PDE11ANAMPTAOC3
SCHEMBL28460544 0.87 HCRTR1 (0.35) DHODH
SCHEMBL28455371 0.87 DHODH (0.35) DHODHAOC3
SCHEMBL28458430 0.86 DHODH (0.40) DHODHMALT1NTRK1
SCHEMBL28456794 0.86 DHODH (0.35) DHODHAOC3
SCHEMBL28455051 0.85 DHODH (0.42) DHODHMALT1NTRK1
SCHEMBL28455295 0.85 DHODH (0.38) DHODHMALT1CNR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116264894-A Preparation and application of 1-pyridylpyrazole amide compound 湖南化工研究院有限公司 2023-06-20 — — CN claimed
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 — — CN claimed
CN-114516854-A Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2022-05-20 — — CN claimed
CN-111662269-B 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-05-07 — — CN claimed
CN-111662269-A 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 — — CN claimed
CN-116264894-B Preparation and application of 1-pyridylpyrazole amide compound 湖南化工研究院有限公司 2024-07-09 — — CN disclosed
CN-116264894-A Preparation and application of 1-pyridylpyrazole amide compound 湖南化工研究院有限公司 2023-06-20 — — CN disclosed
CN-114516855-A Preparation of pyridylpyrazole amide compounds and intermediates therefor 湖南化工研究院有限公司 2022-05-20 — — CN disclosed
CN-114516854-A Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2022-05-20 — — CN disclosed
CN-111662269-B 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-05-07 — — CN disclosed
CN-111662269-A 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 — — CN disclosed
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