SCHEMBL440534

SCHEMBL440534

[C]1=CC=NC2N=COC12

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
SCHEMBL6064185 0.64
SCHEMBL21579879 0.60
SCHEMBL2975920 0.55
SCHEMBL10017385 0.50
Fluoride Ion SCHEMBL2099903 0.30
Fluoride Ion SCHEMBL73611 0.30
Fluoride Ion SCHEMBL8146195 0.30
Fluoride Ion SCHEMBL779 0.30
Fluoride Ion SCHEMBL1943306 0.30
SCHEMBL12992748 0.29

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078887-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2015-07-14 US claimed
US-12036231-B2 Cyclic dinucleotides as agonists of stimulator of interferon gene dependent signalling BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-16 US disclosed
EP-3774802-B1 COMPOUNDS AND METHODS FOR SELECTIVE PROTEOLYSIS OF GLUCOCORTICOID RECEPTORS UNIV TEXAS (US) 2024-07-03 EP disclosed
US-20240199554-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-06-20 US disclosed
WO-2024124056-A1 NOVEL SULFOXIMINE ACTIVATORS OF SEROTONIN RECEPTORS ENTHEOGENIX BIOSCIENCES, INC. (US) 2024-06-13 WO disclosed
EP-3551625-B1 HETEROCYCLIC INHIBITORS OF MCT4 VETTORE LLC (US) 2024-06-12 EP disclosed
US-12006321-B2 Substituted pyrazolo[1,5-a]pyrimidines as apelin receptor agonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-06-11 US disclosed
US-11998606-B2 Compounds and methods for selective proteolysis of glucocorticoid receptors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-06-04 US disclosed
EP-4373822-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS Theras Inc. (US) 2024-05-29 EP disclosed
US-20240166693-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPY 1 Design Therapeutics, Inc. 2024-05-23 US disclosed
US-20070093504-A1 Salts of Modulators Of PPAR and Methods of Treating Metabolic Disorders KALYAPSYS, INC. (US) 2007-04-26 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
WO-2006124780-A2 IH-BENZO [D] IMIDAZOLE COMPOUNDS AS INHIBITORS OF B-RAF KINASE KALYPSYS, INC. (US) 2006-11-23 WO disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-09-14 US disclosed
US-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-07-27 US disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed