SCHEMBL28451724

SCHEMBL28451724

CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)c1c(Br)cc(Cl)cc1C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PDE4B Q07343 5/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ CRHR1 P34998 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DHODH Q02127 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ CRHR2 Q13324 1/20 0.35
▸ MALT1 Q9UDY8 2/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL28451477 0.94 MEN1 (0.39) MEN1KMT2APDE4BPDE4DCRHR1
SCHEMBL28459476 0.89 DHODH (0.38) DHODHMALT1
SCHEMBL29019789 0.88 DHODH (0.37) DHODHMALT1
SCHEMBL28517124 0.87 MEN1 (0.41) MEN1KMT2APDE4BPDE4DCRHR1
SCHEMBL28454560 0.87 HPGD (0.36) PDE4BPDE4DDHODHMALT1
SCHEMBL28456798 0.87 DHODH (0.37) DHODHMALT1
SCHEMBL28447607 0.87 CHIA (0.39) PDE4BDHODHP2RX7
SCHEMBL29181603 0.86 DHODH (0.36) KMT2ADHODHMALT1
SCHEMBL29181544 0.86 DHODH (0.36) DHODHMALT1
SCHEMBL28450734 0.86 DHODH (0.36) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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