SCHEMBL7229665

SCHEMBL7229665

CC(c1ccccc1)n1cnc2c(N)nc3cccnc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.48
ADORA2A P29274 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
NUDT1 P36639 1/20 0.48
HTR2B P41595 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3CD O00329 1/20 0.47
TLR8 Q9NR97 2/20 0.38
PRMT5 O14744 1/20 0.37
MET P08581 3/20 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
SCHEMBL2059427 1.00 TLR7 (0.48) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL4670100 0.86 TLR7 (0.61) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL10588025 0.86 TLR7 (0.61) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL7229671 0.81 MEN1 (0.47) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL7240083 0.81 MEN1 (0.47) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL4380570 0.78 MEN1 (0.40) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL4378168 0.78 MEN1 (0.40) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL4380193 0.75 TLR7 (0.38) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL13588439 0.75 TLR7 (0.38) TLR7ADORA2ALMNAPOLBHRH2
Epetirimod SCHEMBL29350668 0.74 TLR7 (0.70) TLR7ADORA2ALMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624172-B2 Imidazonaphthyridine and tetrahydroimidazonaphthyridine compounds induce the biosynthesis of cytokines such as interferon and tumor necrosis factor, and useful as viricides and antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-09-23 US claimed