SCHEMBL18818631

SCHEMBL18818631

CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)NC65)CC4)cc3OC)c12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.50
RNF168 Q8IYW5 1/20 0.49
NOXO1 Q8NFA2 1/20 0.45
PKM P14618 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL18788822 1.00 TLR7 (0.50) TLR7RNF168NOXO1PKMFLT1
SCHEMBL18811466 0.94 NOXO1 (0.46) TLR7RNF168NOXO1PKMFLT1
SCHEMBL22030816 0.85 TLR7 (0.60) TLR7
SCHEMBL18818638 0.85 TLR7 (0.60) TLR7
SCHEMBL18788718 0.84 TLR7 (0.57) TLR7
SCHEMBL18788753 0.84 TLR7 (0.57) TLR7
SCHEMBL23169773 0.83 TLR7 (0.63) TLR7
SCHEMBL23220196 0.83 TLR7 (0.64) TLR7
SCHEMBL18788786 0.83 TLR7 (0.63) TLR7
SCHEMBL18788758 0.83 TLR7 (0.63) TLR7

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
WO-2017072662-A1 ANTIBODY CONJUGATES COMPRISING TOLL-LIKE RECEPTOR AGONIST NOVARTIS AG (CH) 2017-05-04 WO disclosed