SCHEMBL30513698

SCHEMBL30513698

O[C@@H]1[C@H](O)CS[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 1.00
▸ ADORA1 P30542 17/20 1.00
▸ ADORA3 P0DMS8 15/20 1.00
▸ PPARD Q03181 4/20 0.76
▸ PPARG P37231 1/20 0.76

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
SCHEMBL13298748 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL13318025 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL24414330 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL3323143 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL29700194 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL21704479 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL13317693 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL24414338 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL3328015 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG
SCHEMBL13298743 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA3PPARDPPARG

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
CN-113616659-B Pharmaceutical composition containing adenosine derivative 未来制药有限公司 2024-08-09 — — CN disclosed
CN-118001283-A Pharmaceutical composition comprising adenosine derivatives for preventing and treating diabetic nephropathy 未来制药有限公司 2024-05-10 — — CN disclosed
CN-110869030-B Pharmaceutical composition comprising adenosine derivatives for preventing and treating diabetic nephropathy 未来制药有限公司 2024-03-01 — — CN disclosed
CN-116350649-A Pharmaceutical composition for preventing and/or treating cholangitis or liver diseases caused by cholangitis 未来制药有限公司 2023-06-30 — — CN disclosed
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