SCHEMBL2453591

SCHEMBL2453591

O=C1CC=CC=CN1

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
Hydrochloric Acid SCHEMBL29415773 0.97
Hydrochloric Acid SCHEMBL4055367 0.97
Ethylene SCHEMBL28829580 0.76
SCHEMBL14315764 0.75 CRBN (0.42)
SCHEMBL14560261 0.72
SCHEMBL14560271 0.72
SCHEMBL18324454 0.67
SCHEMBL16431246 0.65 PYGM (0.33)
SCHEMBL1334117 0.64
SCHEMBL2489548 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO claimed
JP-53141290-A None JP disclosed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
WO-2022210479-A1 USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES 日本ケミファ株式会社 2022-10-06 WO disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
CN-114206861-A Fused heteroaryl compounds useful as RIPK1 inhibitors 比西切姆有限公司 2022-03-18 CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
CN-111892539-B Isolongifolenone caprolactam derivative and preparation method and application thereof 南京林业大学 2022-03-04 CN disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
CN-101321532-A Pyrimidylaminobenzamide derivatives for the treatment of neurofibromatosis NOVARTIS AG (CH) 2008-12-10 CN disclosed
CN-101282728-A Combination of organic compounds NOVARTIS AG (CH) 2008-10-08 CN disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO disclosed
CN-101203224-A Use of pyrimidylaminobenzamides for the treatment of diseases responsive to modulation of Tie-2 kinase activity NOVARTIS AG (CH) 2008-06-18 CN disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
JP-S53141290-A PREPARATION OF EPSILON-CAPROLACTAM UBE IND LTD 1978-12-08 JP disclosed