Pyrazole

Pyrazole

SCHEMBL9012286

N=C(N)N.c1cn[nH]c1

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Pyrazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Pyrazole SCHEMBL27553902 0.97 — —
Pyrazole SCHEMBL27984995 0.93 — —
Pyrazole SCHEMBL25401896 0.90 — —
Pyrazole SCHEMBL26122185 0.88 — —
Pyrazole SCHEMBL27617303 0.87 NQO2 (0.33) —
Pyrazole SCHEMBL18227431 0.86 — —
Pyrazole SCHEMBL27903082 0.84 — —
Pyrazole SCHEMBL1129000 0.84 — —
Pyrazole SCHEMBL1724037 0.83 — —
Pyrazole SCHEMBL5664483 0.83 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008274-A Preparation method of N,N'-dicyclohexylurea 绍兴文理学院 2016-10-12 — — CN claimed
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 — — EP claimed
EP-3430000-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2022-12-28 — — EP disclosed
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-11-03 — — US disclosed
EP-3430000-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR Afferent Pharmaceuticals Inc. (US) 2019-01-23 — — EP disclosed
CN-108834412-A Pyrimidine and its variant, and application thereof 传入制药公司 2018-11-16 — — CN disclosed
CN-103635472-B Serine/threonine kinase inhibitor 阵列生物制药公司 2018-01-12 — — CN disclosed
WO-2017160569-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-21 — — WO disclosed
US-9301974-B2 Methods and compositions for selectively removing potassium ion from the gastrointestinal tract of a mammal RELYPSA, INC. (US) 2016-04-05 — — US disclosed
CN-103635472-A Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC 2014-03-12 — — CN disclosed
US-20140044804-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL RELYPSA, INC. (US) 2014-02-13 — — US disclosed
CN-1184473-A 6-Hydroxyamide-Dihydropyran Derivatives BIOTA SCIENT MANAGEMENT (AU) 1998-06-10 — — CN disclosed
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