SCHEMBL4056869

SCHEMBL4056869

CN(C)C(=O)CCBr

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
SCHEMBL7389052 0.83
SCHEMBL6878709 0.81 ALDH1A1 (0.58)
SCHEMBL1191256 0.81 ALDH1A1 (0.63)
SCHEMBL10629907 0.79 ALDH1A1 (0.56)
SCHEMBL5532786 0.79 ALDH1A1 (0.56)
SCHEMBL8636451 0.79 ALDH1A1 (0.56)
SCHEMBL7390301 0.79 ALDH1A1 (0.56)
SCHEMBL2033454 0.77
SCHEMBL131476 0.75 ALDH1A1 (0.74)
SCHEMBL1010155 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676480-A1 INHIBITORS OF DNA POLYMERASE THETA Breakpoint Therapeutics GmbH (DE) 2026-01-14 EP disclosed
WO-2025136841-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-06-26 WO disclosed
US-12162895-B2 DNA polymerase theta inhibitor for treatment of cancer BREAKPOINT THERAPEUTICS GMBH (DE) 2024-12-10 US disclosed
US-20240336628-A1 NOVEL COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF BREAKPOINT THERAPEUTICS GMBH (DE) 2024-10-10 US disclosed
US-20240327430-A1 NOVEL COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF BREAKPOINT THERAPEUTICS GMBH (DE) 2024-10-03 US disclosed
WO-2024189493-A1 INHIBITORS OF DNA POLYMERASE THETA BREAKPOINT THERAPEUTICS GMBH (DE) 2024-09-19 WO disclosed
WO-2024018403-A1 SUBSTITUTED IMIDAZOAMIDE COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-01-25 WO disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
CN-109890796-B Herbicidal pyridazinone compounds 先正达参股股份有限公司 2022-10-11 CN disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
CN-112574160-A Galangin derivative and preparation method and application thereof 武汉轻工大学 2021-03-30 CN disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 US disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-10-06 US disclosed
EP-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 EP disclosed