SCHEMBL3681554

SCHEMBL3681554

O=C1CC=CC2=C1CC=CC=N2

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
Bromide SCHEMBL8931675 0.98
Hydrochloric Acid SCHEMBL4237662 0.68
SCHEMBL3590698 0.64 NOTUM (0.33)
SCHEMBL4642951 0.58
SCHEMBL11797642 0.58
SCHEMBL11016613 0.57
SCHEMBL30812390 0.57
SCHEMBL3630410 0.57
SCHEMBL3930550 0.56 PYGM (0.31)
SCHEMBL18032691 0.56 GSK3A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100239563-A1 PHARMACEUTICAL COMPOSITION FOR THE PROPHYLAXIS AND/OR TREATMENT OF VIRAL DISEASES LUDWIG STEPHAN 2010-09-23 US claimed
EP-1707193-A2 Pharmaceutical composition for the prophylaxis and/or treatment of viral diseases MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2006-10-04 EP claimed
EP-1086105-A1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-28 EP claimed
WO-1999065910-A9 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS US HEALTH (US) 2000-03-16 WO claimed
WO-1999065910-A1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-23 WO claimed
WO-2021188772-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PATHOLOGIC PAIN ASSOCIATED WITH MALIGNANT GROWTH DISORDER DUKE UNIVERSITY (US) 2021-09-23 WO disclosed
CN-105358677-A Compositions and methods for epithelial stem cell expansion and culture BRIGHAM & WOMENS HOSPITAL 2016-02-24 CN disclosed
CN-104379136-A Method of prevention of neurological diseases INT STEM CELL CORP 2015-02-25 CN disclosed
EP-2827869-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO Brown, Dennis (US) 2015-01-28 EP disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
CN-103446138-A Neuroendocrine tumor treatment using mtor inhibitors NOVARTIS AG 2013-12-18 CN disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-1707193-A2 Pharmaceutical composition for the prophylaxis and/or treatment of viral diseases MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2006-10-04 EP disclosed
WO-2002089779-A2 COMBINED PREPARATION FOR THE PROPHYLAXIS AND/OR THERAPY OF NERVE CELL AND/OR GLIA CELL DAMAGE USING A NOVEL METHOD OF TREATMENT MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2002-11-14 WO disclosed
EP-1255551-A1 USE OF PAULLONE DERIVATIVES FOR MAKING MEDICINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-11-13 EP disclosed
WO-2001060374-A1 USE OF PAULLONE DERIVATIVES FOR MAKING MEDICINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2001-08-23 WO disclosed
EP-1086105-A1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-28 EP disclosed
WO-1999065910-A9 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS US HEALTH (US) 2000-03-16 WO disclosed
WO-1999065910-A1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-23 WO disclosed
US-5674866-A Antiallergic imidazoazepines JANSSEN PHARMACEUTICA N.V. (BE) 1997-10-07 US disclosed