SCHEMBL202168

SCHEMBL202168

C[C@H]1CN(C(=O)OC(C)(C)C)c2nc3c(N)nc4ccccc4c3n21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.42
TLR8 Q9NR97 7/20 0.42
NUDT1 P36639 1/20 0.41
MAP4K4 O95819 1/20 0.38

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
SCHEMBL202478 0.86 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL202690 0.82 PDE10A (0.36) MAP4K4
SCHEMBL204124 0.74 GPR119 (0.33)
SCHEMBL12888419 0.72 GBA1 (0.47) TLR7TLR8NUDT1MAP4K4
SCHEMBL1232845 0.71 GBA1 (0.46) TLR7TLR8NUDT1MAP4K4
SCHEMBL1232270 0.70 GBA1 (0.38) TLR7TLR8NUDT1MAP4K4
SCHEMBL1233343 0.69 GBA1 (0.42) TLR7TLR8NUDT1MAP4K4
SCHEMBL202425 0.69 MAP4K4 (0.38) MAP4K4
SCHEMBL12020795 0.68 TLR7 (0.44) TLR7TLR8
SCHEMBL1773379 0.68 TLR7 (0.40) 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-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed