SCHEMBL31406475

SCHEMBL31406475

C[C@@H](O)[C@H](N)C(=O)Nc1ncnc2c1ncn2[C@]1(C(N)=O)O[C@H](CO)[C@@H](O)[C@@]1(C)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.36
▸ ADORA3 P0DMS8 5/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ TARS1 P26639 2/20 0.35

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
SCHEMBL31326251 0.92 TARS1 (0.36) ADORA2AADORA3ADORA1ADORA2BTARS1
SCHEMBL28494144 0.92 TARS1 (0.36) ADORA2AADORA3ADORA1ADORA2BTARS1
SCHEMBL28304158 0.89 TARS1 (0.34) ADORA2AADORA3ADORA1ADORA2BTARS1
SCHEMBL27196595 0.88 TARS1 (0.33) ADORA2AADORA3ADORA1ADORA2BTARS1
SCHEMBL31192374 0.87 ADORA2A (0.35) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL28120771 0.87 TARS1 (0.35) TARS1
SCHEMBL16987222 0.83 TARS1 (0.38) ADORA1TARS1
SCHEMBL28564130 0.83 TARS1 (0.38) ADORA1TARS1
SCHEMBL29435121 0.83 TARS1 (0.38) ADORA1TARS1
SCHEMBL27918607 0.82 ADORA3 (0.31) ADORA3ADORA1TARS1

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-119233964-A Single component delivery system for nucleic acids 宾夕法尼亚大学理事会 2024-12-31 — — CN disclosed
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