SCHEMBL3485985

SCHEMBL3485985

Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.67
MAPT P10636 1/20 0.67
HSPA8 P11142 3/20 0.66
SLC28A2 O43868 3/20 0.66
HSPA5 P11021 2/20 0.64
PRKACA P17612 1/20 0.61
PRKACG P22612 1/20 0.61
PRKACB P22694 1/20 0.61
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
GAPDH P04406 2/20 0.60
BLM P54132 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
HBB P68871 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL578218 1.00 CYP3A4 (0.67) CYP3A4MAPTHSPA8SLC28A2HSPA5
SCHEMBL30316415 1.00 CYP3A4 (0.67) CYP3A4MAPTHSPA8SLC28A2HSPA5
SCHEMBL7258957 0.90 HSPA8 (0.66) CYP3A4MAPTHSPA8SLC28A2HSPA5
SCHEMBL7258948 0.90 HSPA8 (0.66) CYP3A4MAPTHSPA8SLC28A2HSPA5
SCHEMBL13835110 0.90 GAPDH (0.70) HSPA8SLC28A2HSPA5PDE4APDE4B
SCHEMBL13835106 0.90 GAPDH (0.70) HSPA8SLC28A2HSPA5PDE4APDE4B
SCHEMBL5328057 0.89 RAPGEF3 (0.61) CYP3A4MAPTHSPA8SLC28A2HSPA5
SCHEMBL30237368 0.89 RAPGEF3 (0.61) CYP3A4MAPTHSPA8SLC28A2HSPA5
SCHEMBL5328067 0.89 RAPGEF3 (0.61) CYP3A4MAPTHSPA8SLC28A2HSPA5
SCHEMBL13834974 0.88 SLC28A2 (0.68) HSPA8SLC28A2HSPA5PDE4APDE4B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008153881-A1 NOVEL CELL-BASED ASSAYS FOR INDENTIFYING ENHANCERS OR INHIBITORS OF T1R TASTE RECEPTORS (T1R2/T1R3 SWEET) AND UMAMI (T1R1/T1R3 UMAMI) TASTE RECEPTORS SENOMYX, INC. (US) 2008-12-18 WO claimed
WO-2007149554-A2 METHODS FOR RESTORING NEURAL FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2007-12-27 WO claimed
US-20230129380-A1 Method for Estimating Molecular Complexity CHEMIFY LIMITED (GB) 2023-04-27 US disclosed
EP-2707483-B1 METHODS AND MATERIALS FOR NUCLEIC ACID MANIPULATION RWTH AACHEN UNIV (DE) 2017-10-18 EP disclosed
WO-2015193378-A1 NOVEL GLP-1 RECEPTOR AGONISTS WITH CHOLESTEROL EFFLUX ACTIVITY NOVO NORDISK A/S (DK) 2015-12-23 WO disclosed
EP-2935318-A1 NOVEL GLP-1 RECEPTOR AGONISTS WITH CHOLESTEROL EFFLUX ACTIVITY Novo Nordisk A/S (DK) 2015-10-28 EP disclosed
WO-2014096179-A1 NOVEL GLP-1 RECEPTOR AGONISTS WITH CHOLESTEROL EFFLUX ACTIVITY NOVO NORDISK A/S (DK) 2014-06-26 WO disclosed
US-20120295311-A1 Methods and Materials for Nucleic Acid Manipulation BASF SE (DE) 2012-11-22 US disclosed
US-20100029561-A1 AMELIORATING AGENT FOR INSULIN RESISTANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2123303-A1 AMELIORATING AGENT FOR INSULIN RESISTANCE Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
WO-2007149554-A2 METHODS FOR RESTORING NEURAL FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2007-12-27 WO disclosed
US-6372500-B1 FOR TRANSFECTION OF EPITHELIAL TISSUE WITH THE CASSETTES IN THERAPY OF CYSTIC FIBROSIS, EMPHYSEMA, CANCERS OF EPITHELIAL ORIGIN ARISING IN THE LUNG OR OTHER ORGANS HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2002-04-16 US disclosed
EP-1080186-A2 METHOD FOR ALTERING THE ACTIVITY OF PROTEINS OF THE PKA SIGNALING PATHWAY Lauras AS (NO) 2001-03-07 EP disclosed
WO-1999062315-A2 METHOD FOR ALTERING THE ACTIVITY OF PROTEINS OF THE PKA SIGNALING PATHWAY LAURAS AS (NO) 1999-12-02 WO disclosed
WO-1998051807-A1 EPISOMAL EXPRESSION CASSETTES FOR GENE THERAPY HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 1998-11-19 WO disclosed