SCHEMBL8115012

SCHEMBL8115012

COCc1nc2c(N)nc3c(c2n1CC(C)C)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.41
TLR8 Q9NR97 3/20 0.33
PDE8B O95263 2/20 0.32
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
MAPK10 P53779 1/20 0.32
CASP7 P55210 1/20 0.32
MAPK1 P28482 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL1490830 0.91 TLR7 (0.41) TLR7TLR8KDM4EHPGDACHE
SCHEMBL5124071 0.86 TLR7 (0.36) TLR7TLR8KDM4EHPGDALDH1A1
SCHEMBL8113805 0.86 TLR7 (0.39) TLR7TLR8KDM4EHPGDALDH1A1
SCHEMBL8113959 0.86 TLR7 (0.45) TLR7TLR8PDE8BKDM4EHPGD
SCHEMBL1490647 0.85 TLR7 (0.38) TLR7TLR8KDM4EHSD17B10HPGD
SCHEMBL1490659 0.85 TLR7 (0.37) TLR7TLR8HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL1490823 0.84 TLR7 (0.38) TLR7TLR8KDM4EHPGDMAPK1
SCHEMBL4088138 0.84 TLR7 (0.37) TLR7TLR8KDM4EHSD17B10HPGD
SCHEMBL13888876 0.83 TLR7 (0.36) TLR7
Hydrochloric Acid SCHEMBL4523887 0.82 TLR7 (0.36) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP claimed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 US claimed
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP disclosed
US-5886006-A VIRICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-23 US disclosed
US-5648516-A INTERFERON BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-15 US disclosed
US-5627281-A CHEMCAL INTERMEDIATES FOR VIRICIDES BY INDUCING SYNTHESIS OF INTERFERONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 US disclosed
US-5444065-A Viricides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-22 US disclosed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 US disclosed