SCHEMBL6776954

SCHEMBL6776954

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)NS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TLR7 Q9NYK1 11/20 0.40
TLR8 Q9NR97 8/20 0.40
NUDT1 P36639 1/20 0.40
P2RY12 Q9H244 4/20 0.39
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6779350 0.93 LMNA (0.41) LMNAPOLBTLR7TLR8P2RY12
SCHEMBL6777299 0.88 ALDH1A1 (0.43) LMNATLR7TLR8NUDT1ALDH1A1
SCHEMBL6773368 0.85 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6288252 0.84 EPHX2 (0.47)
SCHEMBL6768386 0.84 TLR7 (0.42) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6777973 0.83 TLR7 (0.37) LMNATLR7TLR8NUDT1
SCHEMBL6772831 0.83 FAAH (0.38) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6778341 0.83 TLR7 (0.35) TLR7TLR8NUDT1
SCHEMBL6279887 0.82 TLR7 (0.41) TLR7TLR8NUDT1P2RY12
SCHEMBL6773457 0.82 L3MBTL1 (0.42) POLBTLR7TLR8NUDT1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100402528-C Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-07-16 CN claimed
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