SCHEMBL130169

SCHEMBL130169

[c]1cccc2nn[nH]c12

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
SCHEMBL5837 0.65
SCHEMBL449578 0.65
SCHEMBL4216 0.65
SCHEMBL23702135 0.65
SCHEMBL29419137 0.64
SCHEMBL114038 0.64
SCHEMBL6599224 0.63 ALDH1A1 (0.48)
SCHEMBL16097277 0.63 PARP1 (0.43)
Benzotriazole SCHEMBL8956 0.62
SCHEMBL21466101 0.62 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP claimed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
WO-2023150525-A1 COMPETITIVE AND NONCOMPETITIVE PIPERIDINE SULFONYL INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY (US) 2023-08-10 WO claimed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US claimed
US-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 US claimed
EP-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 EP claimed
CN-113521079-A Use of IRAK4 inhibitors for the treatment of ALI/ARDS 上海领泰生物医药科技有限公司 2021-10-22 CN claimed
EP-3852752-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-07-28 EP claimed
EP-3630752-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-30 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO claimed
WO-2011033094-A1 SCHEDULE OF ADMINISTRATION OF BENZAZOLE DERIVATIVES IN THE TREATMENT OF LEUKEMIAS 4SC AG (DE) 2011-03-24 WO claimed
EP-1996583-A1 THIAZOLES AS NF-KB INHIBITORS (PROTEASOME INHIBITORS) 4SC AG (DE) 2008-12-03 EP claimed
WO-2007104558-A1 THIAZOLES AS NF-KB INHIBITORS (PROTEASOME INHIBITORS) 4SC AG (DE) 2007-09-20 WO claimed
US-20070219190-A1 Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2007-09-20 US claimed
EP-1834954-A1 Thiazoles as NF-kB Inhibitors (proteasome inhibitors) 4SC AG (DE) 2007-09-19 EP claimed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US claimed
US-5424313-A Bibyclic heteroacrylpiperazine derivatives having psychotropic activity, and pharmaceutical compositions containing these derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-06-13 US claimed