SCHEMBL94027

SCHEMBL94027

Cc1cc(N)cnc1C

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
SCHEMBL30154986 1.00
Hydrochloric Acid SCHEMBL4046885 0.97 NOS3 (0.41)
Hydrochloric Acid SCHEMBL27623348 0.97 NOS3 (0.41)
SCHEMBL670767 0.79
SCHEMBL3943201 0.79
SCHEMBL29765539 0.79
SCHEMBL3585029 0.77
SCHEMBL6984527 0.77 NOS3 (0.37)
SCHEMBL17052894 0.77 MAP4K4 (0.34)
SCHEMBL111804 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 CN claimed
WO-2023054558-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2023-04-06 WO claimed
EP-4159184-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2023-04-05 EP claimed
CN-101792473-A Novel ketolide compound and preparation method and application thereof UNIV JINAN 2010-08-04 CN claimed
EP-1250912-B1 Hair dye composition KPSS KAO GMBH (DE) 2004-09-15 EP claimed
WO-2026106389-A1 NMT INHIBITOR AND USE THEREOF 주식회사 이노보테라퓨틱스 2026-05-21 WO disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-19 US disclosed
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-20 US disclosed
EP-4673436-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-01-07 EP disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1293192-A2 Hair dye and process for dyeing human hair KPSS-Kao Professional Salon Services GmbH (DE) 2003-03-19 EP disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed
US-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 US disclosed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed
EP-0246774-A1 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-25 EP disclosed