SCHEMBL72253

SCHEMBL72253

C1=Cc2ccncc2[N]1

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
SCHEMBL71577 0.81
SCHEMBL3358801 0.70 MAOA (0.39)
SCHEMBL25422032 0.67 PDE3B (0.33)
SCHEMBL442201 0.67 CHRNB2 (0.31)
SCHEMBL5803283 0.67 SIGMAR1 (0.39)
SCHEMBL9204913 0.67
SCHEMBL10585694 0.66
SCHEMBL18760604 0.64
SCHEMBL25946699 0.64
SCHEMBL9197036 0.62 GAA (0.32)

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

Appears in 2647 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271238-A 2-Cyanoacrylamides derivatives and use thereof 四川大学 2024-07-02 CN claimed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US claimed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO claimed
WO-2024106781-A1 LIPID COMPOUND AND COMPOSITION FOR DELIVERY OF ACTIVE SUBSTANCE 한국생명공학연구원 2024-05-23 WO claimed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP claimed
CN-111205310-B Heterocyclic fused pyrimidine derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-12-19 CN claimed
WO-2023222644-A1 PYRAZOLE DERIVATIVES AS STING AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2023-11-23 WO claimed
CN-117088869-A 3CL protease inhibitor and preparation method and application thereof 上海翊石医药科技有限公司 2023-11-21 CN claimed
CN-117088898-A Condensed ring pyrimidine compound, preparation method, pharmaceutical composition and application thereof 中国药科大学 2023-11-21 CN claimed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US claimed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO claimed
WO-2002078699-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
WO-2002078697-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
JP-2002506073-A 2002-02-26 JP claimed
US-20020019412-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-02-14 US claimed
EP-1062218-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
EP-1034167-A1 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA &amp; UPJOHN COMPANY (US) 2000-09-13 EP claimed
WO-1999046268-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
WO-1999019304-A2 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-04-22 WO claimed