SCHEMBL6773525

SCHEMBL6773525

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.41
TLR8 Q9NR97 12/20 0.40
NUDT1 P36639 1/20 0.38
BRD4 O60885 3/20 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
SCHEMBL6773388 0.90 TLR7 (0.37) TLR7TLR8
SCHEMBL6778890 0.88 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6096076 0.88 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6779797 0.87 BRD4 (0.36) TLR7TLR8NUDT1BRD4
SCHEMBL6096657 0.85 LMNA (0.39) TLR7TLR8NUDT1BRD4
SCHEMBL6782472 0.85 FAAH (0.47) TLR7TLR8NUDT1BRD4
SCHEMBL6779205 0.84 TLR7 (0.43) TLR7TLR8
SCHEMBL6772056 0.84 KDM4E (0.42)
SCHEMBL6779395 0.83 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL6773630 0.82 TLR8 (0.36) 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