SCHEMBL563511

SCHEMBL563511

O=[N+]([O-])c1cnccn1

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
SCHEMBL27982911 0.85 RAB9A (0.36)
SCHEMBL30269895 0.73 MAPT (0.42)
SCHEMBL28365564 0.73 MAPT (0.42)
SCHEMBL3296075 0.72 ALDH1A1 (0.36)
SCHEMBL28423816 0.68 CYP19A1 (0.38)
SCHEMBL18879407 0.67 HSP90AA1 (0.34)
SCHEMBL11874665 0.67
SCHEMBL29542640 0.67
SCHEMBL33930 0.67
SCHEMBL3722614 0.66 KDM4E (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241450-A Pyrazine compound and preparation method and application thereof, nitropyrazine compound and preparation method and application thereof, wu Pa tenib intermediate preparation method 江西同和药业股份有限公司 2025-01-03 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
CN-102105623-B Electrolytic gold plating solution and gold film obtained using same JAPAN PURE CHEMICAL CO LTD 2013-10-02 CN claimed
CN-102105623-A Electrolytic gold plating solution and gold film obtained using same JAPAN PURE CHEMICAL CO LTD 2011-06-22 CN claimed
EP-0199096-B1 NITRO SUBSTITUTED HETEROARYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-12-20 EP claimed
EP-0330201-A2 Method of enhancing the effect of cytotoxic agents NEORX CORPORATION (US) 1989-08-30 EP claimed
EP-0111151-B1 SUBSTITUTED NITROPYRAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1987-12-09 EP claimed
US-4709035-A 2,6-disubstituted derivatives of 3-nitropyrazines useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1987-11-24 US claimed
EP-0199096-A1 Nitro substituted heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-10-29 EP claimed
US-4609659-A 2,6-disubstituted derivatives of 3-nitropyrazines useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1986-09-02 US claimed
EP-0111151-A1 Substituted nitropyrazine compounds, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1984-06-20 EP claimed
CN-119241450-B Pyrazine compound and preparation method and application thereof, nitropyrazine compound and preparation method and application thereof, wu Pa tenib intermediate preparation method 江西同和药业股份有限公司 2026-02-06 CN disclosed
CN-119241450-B Pyrazine compound and preparation method and application thereof, nitropyrazine compound and preparation method and application thereof, wu Pa tenib intermediate preparation method 江西同和药业股份有限公司 2026-02-06 CN disclosed
CN-119241450-A Pyrazine compound and preparation method and application thereof, nitropyrazine compound and preparation method and application thereof, wu Pa tenib intermediate preparation method 江西同和药业股份有限公司 2025-01-03 CN disclosed
CN-119241450-A Pyrazine compound and preparation method and application thereof, nitropyrazine compound and preparation method and application thereof, wu Pa tenib intermediate preparation method 江西同和药业股份有限公司 2025-01-03 CN disclosed
EP-0096125-A1 Amino and amido derivatives of chloro nitro amino and alkylamino pyrazines useful as adjuncts to radiation therapy MERCK & CO. INC. (US) 1983-12-21 EP disclosed
US-4418062-A Amino derivatives of chloro nitro amino pyrazines useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1983-11-29 US disclosed
US-4416882-A Di(alkylamino) derivatives of chloronitropyrazines useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1983-11-22 US disclosed
US-4414215-A N-Acyl derivatives of 6-alkylamino 5-chloro-3-nitropyrazinamines for radiation therapy MERCK & CO., INC. (US) 1983-11-08 US disclosed