SCHEMBL3953995

SCHEMBL3953995

CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3cc(OC)cc(OC)c3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.40

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
SCHEMBL1874349 0.84 TLR7 (0.54) TLR7
SCHEMBL3946649 0.83 TLR7 (0.54) TLR7
SCHEMBL3947466 0.83 TLR7 (0.49) TLR7
SCHEMBL3945305 0.82 TLR7 (0.51) TLR7
SCHEMBL3951639 0.81 TLR7 (0.53) TLR7
SCHEMBL3945741 0.81 TLR9 (0.42) TLR7
SCHEMBL3947325 0.80 TLR7 (0.51) TLR7
SCHEMBL3952585 0.80 TLR7 (0.53) TLR7
SCHEMBL3949449 0.80 TLR7 (0.57) TLR7
SCHEMBL3947667 0.79 TLR7 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO claimed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO disclosed