SCHEMBL3980452

SCHEMBL3980452

CCCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2s1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.61
TLR7 Q9NYK1 10/20 0.61
DHFR P00374 1/20 0.48
LIMK1 P53667 1/20 0.45
PIK3CD O00329 1/20 0.43
PIP5K1C O60331 1/20 0.43
PIK3CA P42336 1/20 0.43
PI4KA P42356 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
GRM2 Q14416 1/20 0.40
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL5146429 0.83 TLR8 (0.61) TLR8TLR7
SCHEMBL3981001 0.82 TLR8 (0.60) TLR8TLR7LIMK1
SCHEMBL5531698 0.81 DHFR (0.44) TLR8TLR7DHFRLIMK1PIK3CD
SCHEMBL5146571 0.81 TLR8 (0.57) TLR8TLR7DHFRLIMK1
SCHEMBL2401205 0.80 TLR8 (0.54) TLR8TLR7
SCHEMBL3988438 0.78 TLR8 (0.54) TLR8TLR7DHFRLIMK1
SCHEMBL5144714 0.78 TLR8 (0.54) TLR8TLR7DHFRLIMK1CYP11B1
SCHEMBL1527827 0.78 TLR8 (0.70) TLR8TLR7
SCHEMBL5144935 0.77 TLR8 (0.53) TLR8TLR7DHFR
SCHEMBL3503556 0.77 TLR8 (0.56) TLR8TLR7DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804583-A4 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES CO (US) 2009-05-20 EP claimed
US-20070243215-A1 Adjuvant for Dna Vaccines 3M INNOVATIVE PROPERTIES COMPANY 2007-10-18 US claimed
EP-1804583-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-11 EP claimed
WO-2006042254-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-20 WO claimed
EP-1804583-A4 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES CO (US) 2009-05-20 EP disclosed
EP-1680080-A4 NEUTROPHIL ACTIVATION BY IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2007-10-31 EP disclosed
US-20070243215-A1 Adjuvant for Dna Vaccines 3M INNOVATIVE PROPERTIES COMPANY 2007-10-18 US disclosed
EP-1804583-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-11 EP disclosed
EP-1680080-A2 NEUTROPHIL ACTIVATION BY IMMUNE RESPONSE MODIFIER COMPOUNDS 3M Innovative Properties Company (US) 2006-07-19 EP disclosed
WO-2006042254-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-20 WO disclosed
WO-2005041891-A2 NEUTROPHIL ACTIVATION BY IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-12 WO disclosed
US-20050096259-A1 Neutrophil activation by immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 US disclosed