SCHEMBL4465019

SCHEMBL4465019

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(Cc3ccc(CC(=O)OC)cc3)C(=O)CN3CC(O)CC3C(=O)O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.58
IL6 P05231 4/20 0.47

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
SCHEMBL730832 1.00 TLR7 (0.58) TLR7IL6
SCHEMBL4459455 0.90 TLR7 (0.58) TLR7IL6
SCHEMBL729563 0.90 TLR7 (0.58) TLR7IL6
SCHEMBL729582 0.90 TLR7 (0.58) TLR7IL6
SCHEMBL731247 0.89 TLR7 (0.61) TLR7IL6
SCHEMBL728849 0.88 TLR7 (0.65) TLR7
SCHEMBL730725 0.88 TLR7 (0.60) TLR7IL6
SCHEMBL734225 0.88 TLR7 (0.64) TLR7
SCHEMBL731534 0.87 TLR7 (0.63) TLR7
SCHEMBL729606 0.87 TLR7 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041135-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 Astra Zeneca AB (SE) 2009-04-01 EP claimed
WO-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO claimed
EP-2041135-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 Astra Zeneca AB (SE) 2009-04-01 EP disclosed
WO-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO disclosed