SCHEMBL28247740

SCHEMBL28247740

Cc1nc(NC(=O)C(N)C(C)O)c2ncn([C@]3(C(N)=O)O[C@H](C(O)=S)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL28300819 0.89 ADORA3 (0.35) ADORA3ADORA1ADORA2B
SCHEMBL29413061 0.75 HTR2B (0.35) ADORA3ADORA1
SCHEMBL26090156 0.75 HTR2B (0.35) ADORA3ADORA1
SCHEMBL28564130 0.74 TARS1 (0.38) ADORA1
SCHEMBL16987222 0.74 TARS1 (0.38) ADORA1
SCHEMBL29435121 0.74 TARS1 (0.38) ADORA1
SCHEMBL27918607 0.73 ADORA3 (0.31) ADORA3ADORA1
SCHEMBL27943045 0.72 TARS1 (0.32) —
SCHEMBL31406475 0.64 ADORA2A (0.36) ADORA3ADORA1ADORA2B
SCHEMBL29089525 0.64 TARS1 (0.39) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699557-A Composition for oncology to be immunized and method 诺华股份有限公司 2018-10-23 — — CN disclosed
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