SCHEMBL28455051

SCHEMBL28455051

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.42
▸ MALT1 Q9UDY8 6/20 0.36
▸ EPHX2 P34913 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ NTRK1 P04629 3/20 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
SCHEMBL24397959 0.94 DHODH (0.39) DHODHMALT1EPHX2TRPV1NTRK1
SCHEMBL28459476 0.93 DHODH (0.38) DHODHMALT1EPHX2TRPV1NTRK1
SCHEMBL28458430 0.91 DHODH (0.40) DHODHMALT1PDE4APDE4BPDE4C
SCHEMBL28460689 0.91 DHODH (0.40) DHODHMALT1S1PR1S1PR3PDE4A
SCHEMBL29019794 0.90 DHODH (0.40) DHODHMALT1TRPV1
SCHEMBL28451730 0.90 DHODH (0.37) DHODHMALT1EPHX2NTRK1
SCHEMBL14495255 0.88 DHODH (0.39) DHODHMALT1
SCHEMBL28455295 0.88 DHODH (0.38) DHODHMALT1TRPV1
SCHEMBL28460686 0.87 DHODH (0.38) DHODHMALT1TRPV1
SCHEMBL14495164 0.85 DHODH (0.38) DHODHMALT1

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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