SCHEMBL4221111

SCHEMBL4221111

Cn1ncc(CO)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
SCHEMBL1908658 0.78
SCHEMBL5845770 0.76
SCHEMBL10795065 0.76
SCHEMBL12945953 0.74
SCHEMBL13878112 0.74
SCHEMBL22713681 0.73
SCHEMBL4220873 0.73
SCHEMBL22724002 0.73 HTT (0.36)
SCHEMBL24158709 0.71 ALDH1A1 (0.37)
SCHEMBL21570194 0.71 NR1H4 (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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145598-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2025-05-08 US disclosed
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
CN-112638376-B Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolidines, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2024-08-02 CN disclosed
WO-2023235384-A1 COMPOUNDS FOR ENHANCING READ THROUGH OF GENES CONTAINING PREMATURE TERMINATION CODONS AND METHODS FOR MAKING AND USING THE SAME SANOFI US SERVICES INC. (US) 2023-12-07 WO disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
US-11566002-B2 Substituted tetrahydrocyclopenta[C]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-31 US disclosed
US-11566002-B2 Substituted tetrahydrocyclopenta[C]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-31 US disclosed
CN-110099901-B Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors H.隆德贝克有限公司 2023-01-03 CN disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP disclosed
WO-2008006563-A1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2008-01-17 WO disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed