SCHEMBL826599

SCHEMBL826599

CS(=O)(=O)CCNc1nc(N)nc2ccc(-c3cc(C(N)=O)ccc3C3(S(=O)(=O)O)CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.37
TLR8 Q9NR97 16/20 0.37
CHEK2 O96017 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL825976 0.80 CHEK2 (0.36) CHEK2
SCHEMBL4413005 0.79 TLR8 (0.46) TLR7TLR8
SCHEMBL823774 0.71 MKNK1 (0.43) TLR7TLR8
SCHEMBL4413009 0.69 MAP4K4 (0.43) TLR7TLR8
SCHEMBL823722 0.68 NPC1 (0.46)
SCHEMBL823715 0.67 TLR8 (0.43) TLR7TLR8
SCHEMBL823723 0.67 NPC1 (0.41) TLR7TLR8
SCHEMBL823619 0.67 TLR8 (0.40) TLR7TLR8
SCHEMBL823727 0.66 TLR8 (0.39) TLR7TLR8
SCHEMBL823602 0.66 PRMT6 (0.41)

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-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed