SCHEMBL3992188

SCHEMBL3992188

Cc1cccc2nc(N)c3nn(CCO)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
ADORA3 P0DMS8 12/20 0.43
ADORA2A P29274 12/20 0.43
ADORA1 P30542 9/20 0.39
KCNH2 Q12809 2/20 0.37
ADORA2B P29275 1/20 0.34
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5194004 0.89 TLR8 (0.58) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL3991826 0.86 TLR8 (0.70) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL3991913 0.86 TLR7 (0.51) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL3999203 0.81 ADORA3 (0.54) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL1233657 0.80 TLR7 (0.71) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL5192462 0.76 TLR8 (0.41) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL3992822 0.75 ADORA2A (0.46) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL3993609 0.75 TLR8 (0.57) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL30662182 0.75 TLR7 (0.48) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL21712370 0.75 TLR7 (0.48) TLR8TLR7ADORA3ADORA2AADORA1

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-1696912-A4 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2009-06-03 EP disclosed
EP-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 WO disclosed