SCHEMBL6777973

SCHEMBL6777973

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)NC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.37
TLR8 Q9NR97 13/20 0.37
NUDT1 P36639 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL6772831 0.89 FAAH (0.38) TLR7TLR8NUDT1
SCHEMBL6778341 0.89 TLR7 (0.35) TLR7TLR8NUDT1
SCHEMBL6776588 0.88 EPHX2 (0.37) TLR7TLR8NUDT1
SCHEMBL6777554 0.87 KDM4E (0.36) TLR7TLR8NUDT1
SCHEMBL6773840 0.87 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6777299 0.87 ALDH1A1 (0.43) TLR7TLR8NUDT1SMN1; SMN2LMNA
SCHEMBL6093363 0.86 TLR7 (0.36) TLR7TLR8NUDT1
SCHEMBL6773193 0.84 GNAI3 (0.39) TLR7TLR8NUDT1
SCHEMBL6288804 0.84 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6774067 0.84 ALDH1A1 (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