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Sugi Predict / Compounds / SCHEMBL4435480

SCHEMBL4435480

SCHEMBL4435480

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3ccc(OC)c(OC)c3)c2n1.CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3ccc4c(c3)OCCO4)c2n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.62
▸ IL6 P05231 3/20 0.53

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
SCHEMBL2588633 0.95 TLR7 (0.69) TLR7IL6
SCHEMBL2590344 0.95 TLR7 (0.69) TLR7IL6
SCHEMBL2586352 0.87 TLR7 (0.73) TLR7IL6
SCHEMBL2590400 0.85 TLR7 (0.72) TLR7IL6
SCHEMBL2589596 0.84 TLR7 (0.77) TLR7IL6
SCHEMBL2583999 0.84 TLR7 (0.73) TLR7IL6
SCHEMBL2579547 0.84 TLR7 (0.73) TLR7IL6
SCHEMBL2588983 0.84 TLR7 (0.73) TLR7IL6
SCHEMBL2588297 0.83 TLR7 (0.69) TLR7IL6
SCHEMBL2590406 0.83 TLR7 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121693-B1 8-OXOADENINE DERIVATIVES AS IMMUNO-MODULATORS ASTRAZENECA AB (SE) 2012-08-08 — — EP claimed
EP-2121693-A1 8-OXOADENINE DERIVATIVES AS IMMUNO-MODULATORS AstraZeneca AB (SE) 2009-11-25 — — EP claimed
WO-2008071976-A1 8-OXOADENINE DERIVATIVES AS IMMUNO-MODULATORS ASTRAZENECA AB (SE) 2008-06-19 — — WO claimed