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) —
SCHEMBL3161908 0.75 HTT (0.49) —
SCHEMBL23991218 0.75 ADRA1A (0.32) —
SCHEMBL3161901 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
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