SCHEMBL6773544

SCHEMBL6773544

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.51
TLR8 Q9NR97 10/20 0.51
NUDT1 P36639 1/20 0.45

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
SCHEMBL1312806 0.95 TLR7 (0.51) TLR7TLR8NUDT1
Hydrochloric Acid SCHEMBL5032733 0.94 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6778937 0.91 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL6772850 0.90 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6768556 0.90 SMN1; SMN2 (0.49) TLR7TLR8
SCHEMBL6774495 0.89 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6773863 0.89 GAA (0.47) TLR7TLR8
SCHEMBL6775222 0.89 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL6768596 0.87 MCHR1 (0.47) TLR7TLR8
SCHEMBL6772811 0.87 ALDH1A1 (0.46) 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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed