SCHEMBL6774337

SCHEMBL6774337

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.39
TLR7 Q9NYK1 16/20 0.38
NUDT1 P36639 1/20 0.35
LMNA P02545 1/20 0.35
PIK3CA P42336 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
SCHEMBL4794459 0.87 TLR8 (0.40) TLR8TLR7NUDT1
SCHEMBL6783636 0.87 TLR7 (0.39) TLR8TLR7NUDT1
SCHEMBL4791285 0.87 TLR8 (0.40) TLR8TLR7NUDT1
SCHEMBL4793132 0.86 TLR8 (0.39) TLR8TLR7NUDT1
SCHEMBL6778097 0.85 TLR7 (0.38) TLR8TLR7LMNAPIK3CA
SCHEMBL6778344 0.84 TLR7 (0.36) TLR8TLR7NUDT1LMNAPIK3CA
SCHEMBL6783392 0.83 TLR7 (0.47) TLR8TLR7NUDT1LMNA
SCHEMBL6779715 0.83 TLR7 (0.45) TLR8TLR7NUDT1
SCHEMBL6777551 0.82 TLR7 (0.41) TLR8TLR7NUDT1
SCHEMBL6776957 0.82 TLR7 (0.42) TLR8TLR7NUDT1

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
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed