SCHEMBL3652736

SCHEMBL3652736

CC(C)(C)Cc1nnn[nH]1

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
SCHEMBL14365546 0.77
SCHEMBL18792499 0.74
SCHEMBL16382367 0.71 HRH3 (0.30)
SCHEMBL14365545 0.71
SCHEMBL14365548 0.71
SCHEMBL21325256 0.71
SCHEMBL6352942 0.70
SCHEMBL6354559 0.70
SCHEMBL14200517 0.70
SCHEMBL2206067 0.69 SMN1; SMN2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-20210198251-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-01 US disclosed
US-20210188836-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 US disclosed
US-10975068-B2 6-aminopyridin-3-yl thiazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-05-19 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20090093465-A1 THERAPEUTIC KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
US-20080207686-A1 Peptide Deformylase (Pdf) Inhibitors 4 NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080188515-A1 Imidazo [1,2-A] Pyridine Derivatives Useful As Peptide Deformylase (Pdf) Inhibitors NOVARTIS AG (CH) 2008-08-07 US disclosed
WO-2008028168-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2008-03-06 WO disclosed
US-20080004293-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC. 2008-01-03 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7300639-B2 Process for removing metals from liquids BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-20070015732-A1 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2007-01-18 US disclosed
US-20070015732-A1 Adenosine receptor antagonists and methods of making and using the same KIESMAN WILLIAM F 2007-01-18 US disclosed