SCHEMBL2486847

SCHEMBL2486847

CCCCOc1nc(N)c2nc(OC)n(C3CCCCO3)c2n1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.47
ADORA2A P29274 3/20 0.41
ADORA2B P29275 3/20 0.41
TLR8 Q9NR97 2/20 0.41

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
SCHEMBL29809327 0.99 TLR7 (0.47) TLR7ADORA2AADORA2BTLR8
SCHEMBL567233 0.99 TLR7 (0.47) TLR7ADORA2AADORA2BTLR8
SCHEMBL2200726 0.89 TLR7 (0.41) TLR7ADORA2AADORA2B
SCHEMBL10057869 0.89 ADORA2A (0.37) TLR7ADORA2AADORA2B
SCHEMBL2199084 0.88 TLR7 (0.37) TLR7ADORA2AADORA2B
SCHEMBL31124759 0.88 ADORA2A (0.40) TLR7ADORA2AADORA2B
SCHEMBL2199802 0.87 ADORA2A (0.43) TLR7ADORA2AADORA2B
SCHEMBL24733095 0.87 TLR7 (0.49) TLR7
SCHEMBL2199990 0.86 ADORA2A (0.42) TLR7ADORA2AADORA2B
SCHEMBL31126573 0.86 TLR7 (0.38) TLR7ADORA2AADORA2BTLR8

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-2139894-B1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7) MODULATORS ASTRAZENECA AB (SE) 2011-10-26 EP disclosed
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