SCHEMBL12800358

SCHEMBL12800358

CCCCNCc1ccc(-c2cccc(Cn3c(=O)[nH]c4c(N)nc(OCCCC)nc43)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.71
▸ IL6 P05231 13/20 0.71

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
SCHEMBL1146552 0.85 TLR7 (0.85) TLR7IL6
SCHEMBL15177549 0.85 TLR7 (0.70) TLR7IL6
SCHEMBL12800359 0.85 TLR7 (0.70) TLR7IL6
SCHEMBL26354123 0.85 TLR7 (0.77) TLR7IL6
SCHEMBL1146053 0.84 TLR7 (0.77) TLR7IL6
SCHEMBL12800331 0.83 TLR7 (0.73) TLR7IL6
SCHEMBL1146409 0.83 TLR7 (0.81) TLR7IL6
SCHEMBL1344409 0.83 TLR7 (0.73) TLR7IL6
SCHEMBL15500435 0.82 TLR7 (0.67) TLR7IL6
SCHEMBL1145806 0.82 TLR7 (0.77) TLR7IL6

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-2011049825-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-04-28 — — WO disclosed
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