SCHEMBL524391

SCHEMBL524391

NCc1ccc(=O)[nH]c1

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
Bromide SCHEMBL23375434 0.98 ALDH1A1 (0.43)
Hydrochloric Acid SCHEMBL31738473 0.98 ALDH1A1 (0.43)
SCHEMBL31477842 0.83 HRH3 (0.56)
SCHEMBL3057964 0.82 TAAR1 (0.41)
SCHEMBL28815221 0.77 ALDH1A1 (0.41)
SCHEMBL313756 0.76
SCHEMBL18616803 0.76
SCHEMBL6931003 0.76
SCHEMBL1160586 0.76
SCHEMBL4827203 0.76 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6292589-A None JP disclosed
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
WO-2025064718-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-03-27 WO disclosed
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains THE SCRIPPS RESEARCH INSTITUTE 2024-04-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
CN-116888100-A High-activity HPK1 kinase inhibitor 杭州阿诺生物医药科技有限公司 2023-10-13 CN disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
JP-H06292589-A PRODUCTION OF PYRIDINE DERIVATIVE NIPPON SODA CO LTD 1994-10-21 JP disclosed