SCHEMBL483690

SCHEMBL483690

CC(CN)c1nc2ccccc2c2c1ncn2CCCCNS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.50
POLB P06746 3/20 0.43
LMNA P02545 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 3/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6280434 0.90 TLR7 (0.51) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6275229 0.86 TLR7 (0.43) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL3885227 0.84 TLR7 (0.66) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL3968295 0.83 TLR7 (0.64) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6279943 0.81 TLR7 (0.40) TLR7POLBLMNAHRH2ADRA1D
Trifluoroacetic Acid SCHEMBL6699855 0.79 TLR7 (0.36) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6053164 0.78 TLR7 (0.46) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL6051272 0.77 CYP3A4 (0.49) LMNAPRKCGPRKCBPRKCAMEN1
SCHEMBL6280722 0.77 TLR7 (0.50) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL5668186 0.76 TLR7 (0.49) TLR7POLBLMNAHRH2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411521-A1 COMPOSITIONS FOR STIMULATION OF MAMMALIAN INNATE IMMUNE RESISTANCE TO PATHOGENS The Board of Regents of The University of Texas System (US) 2012-02-01 EP disclosed
WO-2010111485-A1 COMPOSITIONS FOR STIMULATION OF MAMMALIAN INNATE IMMUNE RESISTANCE TO PATHOGENS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-09-30 WO disclosed
EP-1658035-A4 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2007-08-22 EP disclosed
EP-1658035-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020912-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed