SCHEMBL583517

SCHEMBL583517

CCn1nc(C)cc1N

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
SCHEMBL691318 0.83 POLB (0.51)
SCHEMBL2338357 0.79 POLB (0.49)
SCHEMBL6128069 0.78 POLB (0.47)
SCHEMBL11691084 0.77 ADORA2A (0.45)
SCHEMBL11128959 0.77 POLB (0.50)
SCHEMBL7113136 0.77 POLB (0.50)
SCHEMBL11688903 0.77 POLB (0.46)
SCHEMBL2020938 0.76
SCHEMBL23608703 0.76
SCHEMBL17045358 0.76 ADORA2A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2025215153-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2025-10-16 WO disclosed
CN-118401531-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2024-07-26 CN disclosed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
CN-116444544-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2023-07-18 CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
CN-113024563-B Pyrimido five-membered heterocyclic compound or pharmaceutically acceptable salt and isomer thereof, and preparation method, pharmaceutical composition and application thereof 药康众拓(江苏)医药科技有限公司 2023-01-03 CN disclosed
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
US-4113718-A Basic azo dyes CIBA-GEIGY CORPORATION (US) 1978-09-12 US disclosed
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-4020072-A PSYCHOTROPIC E. R. SQUIBB & SONS, INC. (US) 1977-04-26 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3983128-A CNS DEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3979399-A ATARACTIC, ANALGESIC, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-09-07 US disclosed
US-3966746-A ATARACTIC, ANALGESIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-06-29 US disclosed
US-3935222-A CNS DEPRESSANT, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-01-27 US disclosed