SCHEMBL7141135

SCHEMBL7141135

COc1nc2c(N)nc3ccccc3c2s1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.66
TLR7 Q9NYK1 12/20 0.66
POLB P06746 1/20 0.46
ADORA2A P29274 4/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA1 P30542 3/20 0.44
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
DCPS Q96C86 1/20 0.39

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
SCHEMBL2400915 0.80 TLR8 (0.56) TLR8TLR7ADORA2AADORA3ADORA1
SCHEMBL1527825 0.80 TLR7 (1.00) TLR8TLR7ADORA2AADORA3ADORA1
SCHEMBL1527927 0.78 TLR8 (0.72) TLR8TLR7POLBDCPS
Hydrochloric Acid SCHEMBL5768405 0.78 TLR7 (0.97) TLR8TLR7ADORA2AADORA3ADORA1
SCHEMBL1527890 0.76 TLR7 (1.00) TLR8TLR7POLBADORA2AADORA3
SCHEMBL1528137 0.76 TLR8 (1.00) TLR8TLR7
Hydrochloric Acid SCHEMBL5767005 0.75 TLR8 (0.97) TLR8TLR7
SCHEMBL2808735 0.75 TLR8 (0.72) TLR8TLR7ADORA2AADORA3ADORA1
Hydrochloric Acid SCHEMBL2807427 0.74 TLR8 (0.70) TLR8TLR7DCPS
SCHEMBL482958 0.74 TLR8 (1.00) TLR8TLR7

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
EP-1100802-B1 OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLINE-4-AMINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2003-09-24 EP disclosed