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) —
SCHEMBL9204913 0.67 — —
SCHEMBL442201 0.67 CHRNB2 (0.31) —
SCHEMBL5803283 0.67 SIGMAR1 (0.39) —
SCHEMBL25422032 0.67 PDE3B (0.33) —
SCHEMBL10585694 0.66 — —
SCHEMBL25946699 0.64 — —
SCHEMBL18760604 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
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