SCHEMBL8522286

SCHEMBL8522286

CC(C)(O)Cn1cnc2c(N)nc3ccccc3c21.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.87
NUDT1 P36639 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
HRH2 P25021 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2A P28223 1/20 0.58
ADORA2A P29274 1/20 0.58
ADRA1A P35348 1/20 0.58
HTR2B P41595 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
TLR8 Q9NR97 8/20 0.53

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
SCHEMBL29508382 0.93 TLR7 (1.00) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL189202 0.93 TLR7 (1.00) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL6710596 0.82 TLR7 (0.79) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL5617088 0.80 TLR7 (0.74) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL1895460 0.79 TLR7 (0.73) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4144585 0.78 TLR7 (0.71) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4531160 0.77 TLR7 (0.71) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4531190 0.77 TLR7 (0.71) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL1486435 0.77 TLR7 (0.70) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL5617005 0.77 TLR7 (0.70) TLR7NUDT1LMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912565-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-05-06 EP disclosed
WO-1997048704-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-24 WO disclosed