SCHEMBL6778341

SCHEMBL6778341

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.35
TLR8 Q9NR97 8/20 0.35
NUDT1 P36639 1/20 0.35
MBOAT4 Q96T53 3/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL6777973 0.89 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6093363 0.89 TLR7 (0.36) TLR7TLR8NUDT1MBOAT4
SCHEMBL6777554 0.88 KDM4E (0.36) TLR7TLR8NUDT1EPHX2
SCHEMBL6772831 0.88 FAAH (0.38) TLR7TLR8NUDT1
SCHEMBL6776588 0.87 EPHX2 (0.37) TLR7TLR8NUDT1EPHX2
SCHEMBL6773840 0.86 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6777299 0.86 ALDH1A1 (0.43) TLR7TLR8NUDT1
SCHEMBL6774067 0.85 ALDH1A1 (0.39) TLR7TLR8NUDT1
SCHEMBL6288804 0.84 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6773193 0.84 GNAI3 (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