SCHEMBL6777774

SCHEMBL6777774

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)NCC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.41
TLR8 Q9NR97 13/20 0.40
NUDT1 P36639 1/20 0.38
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPID Q08752 1/20 0.36
PPIG Q13427 1/20 0.36

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
SCHEMBL6778701 0.91 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6778782 0.89 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL1616166 0.88 TLR7 (0.38) TLR7TLR8NUDT1
SCHEMBL6094643 0.87 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL6782966 0.86 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6288244 0.84 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6094673 0.84 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6768601 0.83 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6776452 0.83 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL6775573 0.83 TLR7 (0.39) TLR7TLR8NUDT1

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed