SCHEMBL450381

SCHEMBL450381

[CH]1CNCCNC1

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
SCHEMBL519118 0.84
SCHEMBL61422 0.80
SCHEMBL518639 0.78
SCHEMBL9205 0.75
SCHEMBL4608960 0.73
SCHEMBL23752 0.73
SCHEMBL17784330 0.73
SCHEMBL4608962 0.73
Hydrochloric Acid SCHEMBL29240889 0.72
SCHEMBL8805 0.70

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566032-B2 Radio-protective and chemo-protective substituted thiols Tonix Pharmaceuticals, Inc. (US) 2023-01-31 US claimed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
WO-2023177233-A1 NOVEL COMPOUND AND USE THEREOF FOR INHIBITING CHECKPOINT KINASE 2 (주)아름테라퓨틱스 2023-09-21 WO disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-105611930-B Spiro quinoxaline derivatives as non-apoptotic regulated cell death inhibitors 亥姆霍兹慕尼黑中心-德国环境与健康研究中心(股份有限公司) 2021-03-02 CN disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020027304-A1 NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF アスタファーマシューティカルズ株式会社 2020-02-06 WO disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof AJINOMOTO CO., INC. (JP) 2005-08-11 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1529778-A1 Production method of pyrimidine derivative, intermediate therefor Ajinomoto Co., Inc. (JP) 2005-05-11 EP disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP disclosed
EP-1104764-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-06-06 EP disclosed