SCHEMBL6776799

SCHEMBL6776799

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.39
TLR8 Q9NR97 8/20 0.38
EPHX1 P07099 1/20 0.36
NUDT1 P36639 1/20 0.35
BRD4 O60885 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
SCHEMBL6777954 0.90 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6777013 0.87 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6782828 0.87 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6777844 0.86 EPHX2 (0.46) TLR7TLR8NUDT1
SCHEMBL6782676 0.85 EPHX1 (0.41) EPHX1BRD4
SCHEMBL6285998 0.85 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6779814 0.85 FAAH (0.47) TLR7TLR8EPHX1NUDT1
SCHEMBL6774169 0.84 TLR7 (0.39) TLR7TLR8
SCHEMBL6773964 0.83 TP53 (0.42)
SCHEMBL6775141 0.83 TLR7 (0.51) 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