SCHEMBL3993967

SCHEMBL3993967

C#CCCCc1cccc2nc(N)c3nn(CCC)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.51
TLR7 Q9NYK1 5/20 0.51
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
PRKCD Q05655 1/20 0.34
PAK1 Q13153 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
HSP90B1 P14625 1/20 0.34

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
SCHEMBL3995270 0.89 TLR8 (0.60) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL3992937 0.86 TLR8 (0.54) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL3998127 0.86 TLR8 (0.54) TLR8TLR7
SCHEMBL5571999 0.85 TLR8 (0.54) TLR8TLR7CSNK1A1CSNK1DPRKCD
Hydrochloric Acid SCHEMBL3995835 0.84 TLR8 (0.53) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL3993985 0.84 TLR8 (0.51) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL3993609 0.84 TLR8 (0.57) TLR8TLR7ADORA3ADORA2AADORA2B
SCHEMBL3998067 0.83 TLR8 (0.50) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL3996104 0.82 TLR7 (0.57) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL3991821 0.82 TLR8 (0.53) TLR8TLR7ADORA3ADORA2AADORA2B

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 3 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-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