SCHEMBL40289

SCHEMBL40289

Nc1cnc(Br)cn1

nearest known ligand 0.00

⚠ 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
SCHEMBL29729074 1.00
SCHEMBL19743911 0.97
Hydrochloric Acid SCHEMBL30464867 0.97
SCHEMBL21045448 0.86 PIK3CD (0.41)
Formic Acid Methyl Ester SCHEMBL28834546 0.81 ALOX5AP (0.36)
SCHEMBL423198 0.80
SCHEMBL647114 0.80
Hydrochloric Acid SCHEMBL29354497 0.77 HSP90AA1 (0.47)
Cyclopropanecarboxylic Acid Amide SCHEMBL3460472 0.77 CYP3A4 (0.36)
SCHEMBL13606491 0.76

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

Appears in 2427 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684334-A Chemiluminescent probe for targeting Abeta oligomer and preparation method and application thereof 中国药科大学 2025-03-25 CN claimed
CN-119281138-A Core-shell structure porous polymer-carbon nano tube filter membrane and preparation method thereof 国能神东煤炭集团有限责任公司 2025-01-10 CN claimed
CN-118084918-A Chemiluminescent probe, preparation method thereof and application thereof in detection of beta amyloid 中国药科大学 2024-05-28 CN claimed
CN-118027070-A Triazolopyridine bromodomain protein 4 small molecule inhibitor and preparation method and application thereof 中国药科大学 2024-05-14 CN claimed
CN-117903069-A Synthesis method of fampicin intermediate 2-bromo-5-chloropyrazine 苏州艾缇克药物化学有限公司 2024-04-19 CN claimed
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US claimed
EP-3965760-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS Calcimedica, Inc. (US) 2022-03-16 EP claimed
US-20220056053-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS AVENUE CAPITAL MANAGEMENT II, L.P. 2022-02-24 US claimed
CN-114072143-A Synthesis of CRAC channel inhibitors 钙医学公司 2022-02-18 CN claimed
WO-2020227312-A1 SYNTHESIS OF CRAC CHANNEL INHIBITORS CALCIMEDICA, INC. (US) 2020-11-12 WO claimed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 US claimed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 WO claimed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US claimed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP claimed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 WO claimed