SCHEMBL3161069

SCHEMBL3161069

CCn1ncnc1C=O

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
SCHEMBL2380325 0.79
SCHEMBL20625465 0.78 XDH (0.30)
SCHEMBL3161901 0.75 HTT (0.49)
SCHEMBL23991218 0.75 ADRA1A (0.32)
SCHEMBL3161908 0.75 HTT (0.49)
SCHEMBL24931289 0.73 HTT (0.30)
SCHEMBL24129339 0.73 HTT (0.30)
SCHEMBL2041363 0.71
Ammonia Solution, Strong SCHEMBL28792463 0.70 KDM4E (0.35)
SCHEMBL2936179 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 US disclosed
EP-3220910-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2017-09-27 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-1546107-B1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2010-03-31 EP disclosed
EP-1546107-B1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2010-03-31 EP disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20060040988-A1 Cox-2 Inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
CN-1681788-A COX-2 inhibiting pyridine derivatives GLAXO GROUP LTD (GB) 2005-10-12 CN disclosed
EP-1546107-A1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-06-29 EP disclosed
WO-2004024691-A1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed