SCHEMBL31124759

SCHEMBL31124759

COc1nc2c(N)nc(OCCO)nc2n1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.40
ADORA2B P29275 10/20 0.40
ADORA3 P0DMS8 1/20 0.37
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2200726 0.91 TLR7 (0.41) ADORA2AADORA2BADORA3TLR7
SCHEMBL29809327 0.89 TLR7 (0.47) ADORA2AADORA2BTLR7
SCHEMBL2199802 0.89 ADORA2A (0.43) ADORA2AADORA2BADORA3TLR7
SCHEMBL567233 0.89 TLR7 (0.47) ADORA2AADORA2BTLR7
SCHEMBL10057869 0.89 ADORA2A (0.37) ADORA2AADORA2BADORA3TLR7
SCHEMBL2199990 0.88 ADORA2A (0.42) ADORA2AADORA2BADORA3TLR7
SCHEMBL2486847 0.88 TLR7 (0.47) ADORA2AADORA2BTLR7
SCHEMBL2199084 0.88 TLR7 (0.37) ADORA2AADORA2BADORA3TLR7
SCHEMBL2198756 0.87 TLR7 (0.35) ADORA2AADORA2BADORA3TLR7
SCHEMBL2198172 0.86 ADORA2A (0.44) ADORA2AADORA2BADORA3TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024199063-A1 PHOSPHORUS OR SULFUR-CONTAINING MACROCYCLE AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
CN-118724963-A Macrocyclic compounds containing phosphorus or sulfur and use thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed