SCHEMBL13089936

SCHEMBL13089936

Nc1cnc(I)c(Cl)n1

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
SCHEMBL30876842 0.81
SCHEMBL8257576 0.77
SCHEMBL1349372 0.75
SCHEMBL30927454 0.75
SCHEMBL13954212 0.73
SCHEMBL29334066 0.71
SCHEMBL29870162 0.71
SCHEMBL22532537 0.71
SCHEMBL27159883 0.71
SCHEMBL14611549 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206748-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE AND IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H. LUNDBECK A/S (DK) 2025-06-26 US disclosed
EP-4476204-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS Theras, Inc. (US) 2024-12-18 EP disclosed
CN-118946555-A Compounds having T-structures formed by at least four rings for use in the treatment of cancer and other indications 瑟拉斯有限公司 2024-11-12 CN disclosed
CN-114929705-B MLL1 inhibitors and anticancer agents 诺华公司 2024-09-13 CN disclosed
EP-4013754-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-07-24 EP disclosed
CN-117946013-B Method for synthesizing 5, 6-dihalogen-3-aminopyrazine-2-methyl formate by one-pot method 白银康寓信生物科技有限公司 2024-07-02 CN disclosed
EP-4335497-A2 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H. Lundbeck A/S (DK) 2024-03-13 EP disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
EP-3865484-B1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H LUNDBECK AS (DK) 2023-11-08 EP disclosed
EP-3865484-B1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H LUNDBECK AS (DK) 2023-11-08 EP disclosed
EP-2802589-A1 FUSED PYRROLES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION (PAH) AND RELATED DISORDERS Novartis AG (CH) 2014-11-19 EP disclosed
WO-2013131609-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-09-12 WO disclosed
US-20130184282-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2013-07-18 US disclosed
WO-2013105057-A1 FUSED PYRROLES AS IP RECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION (PAH) AND RELATED DISORDERS NOVARTIS AG (CH) 2013-07-18 WO disclosed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed