SCHEMBL28552389

SCHEMBL28552389

CC(C)N(C(C)C)P(OCCC#N)Oc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.40
▸ HIF1A Q16665 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34

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
SCHEMBL28552404 0.86 SLC29A1 (0.51) SLC29A1ADORA2AADORA2BADORA3DOT1L
SCHEMBL2583651 0.75 SLC29A1 (0.52) SLC29A1HIF1AADORA2AADORA2BBCHE
SCHEMBL12174032 0.75 SLC29A1 (0.52) SLC29A1HIF1AADORA2AADORA2BBCHE
SCHEMBL23982354 0.75 SLC29A1 (0.52) SLC29A1HIF1AADORA2AADORA2BBCHE
SCHEMBL2585394 0.75 SLC29A1 (0.52) SLC29A1HIF1AADORA2AADORA2BBCHE
SCHEMBL23982564 0.75 SLC29A1 (0.52) SLC29A1HIF1AADORA2AADORA2BBCHE
SCHEMBL29884287 0.74 ADORA2A (0.44) SLC29A1ADORA2AADORA2BADORA3DOT1L
SCHEMBL30324459 0.73 ADORA3 (0.54) SLC29A1ADORA2AADORA2BADORA3DOT1L
SCHEMBL30324473 0.73 ADORA1 (0.55) SLC29A1HIF1AADORA2AADORA2BADORA3
SCHEMBL3039007 0.70 SLC29A1 (0.55) SLC29A1HIF1AADORA2AADORA2BBCHE

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-112714649-A Novel cyclic dinucleotide derivatives and antibody drug conjugates thereof 第一三共株式会社 2021-04-27 — — CN disclosed
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