SCHEMBL599404

SCHEMBL599404

CC(C)C(C#N)C=O

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
SCHEMBL843090 0.97
SCHEMBL8532748 0.78
SCHEMBL8534952 0.78
SCHEMBL3038207 0.71
SCHEMBL16439179 0.71
SCHEMBL15910483 0.70
SCHEMBL18775436 0.69 LMNA (0.33)
SCHEMBL17400860 0.69
SCHEMBL2558387 0.69
SCHEMBL4485232 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988172-B Synthesis method of pyrazolo [1,5-A ] pyrimidine heterocyclic compound and derivative 石家庄学院 2020-09-29 CN claimed
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 EP disclosed
US-RE50776-E1 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-02-03 US disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 EP disclosed
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2025-04-17 US disclosed
US-12098154-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-09-24 US disclosed
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-12077542-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-09-03 US disclosed
CN-114929345-B Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2024-07-23 CN disclosed
CN-113004285-B Heterocyclic compound, pharmaceutical composition, preparation method, intermediate and application thereof 苏州信诺维医药科技股份有限公司 2024-05-14 CN disclosed
US-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases EMORY UNIVERSITY 2010-10-14 US disclosed
WO-2010068838-A2 PROCESSES FOR PREPARING 5,7 DIAMINOPYRAZOLO[1,5-α] PYRIMIDINE COMPOUNDS EMORY UNIVERSITY (US) 2010-06-17 WO disclosed
EP-2170073-A1 SELECTIVE INHIBITORS FOR CYCLIN-DEPENDENT KINASES Emory University (US) 2010-04-07 EP disclosed
WO-2008151304-A1 SELECTIVE INHIBITORS FOR CYCLIN-DEPENDENT KINASES EMORY UNIVERSITY (US) 2008-12-11 WO disclosed
WO-2008151304-A1 SELECTIVE INHIBITORS FOR CYCLIN-DEPENDENT KINASES EMORY UNIVERSITY (US) 2008-12-11 WO disclosed
US-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine VERNALIS (CAMBRIDGE) LIMITED. (GB) 2007-08-02 US disclosed
US-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine VERNALIS (CAMBRIDGE) LIMITED. (GB) 2007-08-02 US disclosed
US-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine VERNALIS (CAMBRIDGE) LIMITED. (GB) 2007-08-02 US disclosed
EP-1608652-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN MEDICINE Vernalis (Cambridge) Limited (GB) 2005-12-28 EP disclosed
WO-2004087707-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN MEDICINE VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-10-14 WO disclosed