SCHEMBL28455080

SCHEMBL28455080

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ DHODH Q02127 2/20 0.35
▸ CNR1 P21554 4/20 0.34
▸ CNR2 P34972 4/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA6 P23280 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA13 Q8N1Q1 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL28454637 0.95 DHODH (0.36) HPGDKMT2ADHODHCNR1CNR2
SCHEMBL28451011 0.94 HPGD (0.39) HPGDKMT2ADHODHCNR1CNR2
SCHEMBL28447607 0.92 CHIA (0.39) HPGDDHODHP2RX7
SCHEMBL28450666 0.90 HPGD (0.39) HPGDKMT2ACNR1CNR2P2RX7
SCHEMBL29607311 0.90 HPGD (0.39) HPGDKMT2ACNR1CNR2P2RX7
SCHEMBL28455067 0.90 POLB (0.39) KMT2ADHODHCNR1CNR2
SCHEMBL28459476 0.88 DHODH (0.38) DHODH
SCHEMBL24397793 0.86 CHIA (0.39) HPGDDHODHCNR1CNR2P2RX7
SCHEMBL28451724 0.85 MEN1 (0.39) KMT2ADHODHP2RX7
SCHEMBL29181603 0.85 DHODH (0.36) KMT2ADHODH

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 13 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-117285508-A Preparation method of pyridyl pyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-26 — — CN disclosed
CN-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 — — 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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