SCHEMBL5495408

SCHEMBL5495408

CC(C)Cn1cnc2nc3cccnc3c(N)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.52
HTR2A P28223 4/20 0.52
HTR2B P41595 4/20 0.52
PDE4D Q08499 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
HRH2 P25021 1/20 0.52
ADRA1D P25100 1/20 0.52
ADORA2A P29274 1/20 0.52
ADRA1A P35348 1/20 0.52
NUDT1 P36639 1/20 0.52
KCNH2 Q12809 1/20 0.52
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
HTR2C P28335 3/20 0.40
CYP1A2 P05177 1/20 0.39
TLR8 Q9NR97 4/20 0.38
PRMT5 O14744 1/20 0.38
TEK Q02763 1/20 0.36

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
Epetirimod SCHEMBL544542 0.81 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DLMNA
Epetirimod SCHEMBL29350668 0.81 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DLMNA
Epetirimod SCHEMBL29454521 0.81 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DLMNA
SCHEMBL5528022 0.75 TLR7 (0.50) TLR7HTR2AHTR2BPDE4DLMNA
SCHEMBL7229671 0.75 MEN1 (0.47) TLR7HTR2AHTR2BPDE4DLMNA
SCHEMBL7240083 0.75 MEN1 (0.47) TLR7HTR2AHTR2BPDE4DLMNA
Epetirimod SCHEMBL4178900 0.74 TLR7 (0.61) TLR7HTR2AHTR2BPDE4DLMNA
Epetirimod SCHEMBL4985288 0.74 TLR7 (0.61) TLR7HTR2AHTR2BPDE4DLMNA
SCHEMBL4085639 0.73 TLR7 (0.48) TLR7HTR2AHTR2BPDE4DLMNA
Epetirimod SCHEMBL4178322 0.73 TLR7 (0.60) TLR7HTR2AHTR2BPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512686-B1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYNTHESIS MINNESOTA MINING & MFG (US) 2006-09-06 EP claimed
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