SCHEMBL30208550

SCHEMBL30208550

N=C(N)NCCCCC(=O)C(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.51
▸ HIF1A Q16665 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL30208525 0.85 SLC29A1 (0.57) SLC29A1ADORA3
SCHEMBL30208596 0.83 POLA1 (0.54) ADORA3
SCHEMBL30208503 0.83 SLC29A1 (0.56) SLC29A1ADORA3
SCHEMBL30208502 0.83 SLC29A1 (0.56) SLC29A1ADORA3
SCHEMBL30208544 0.82 SLC29A1 (0.49) SLC29A1HIF1AADORA3
SCHEMBL30208587 0.81 POLA1 (0.54) —
SCHEMBL21011332 0.79 HIF1A (0.67) SLC29A1HIF1AADORA3
SCHEMBL21011330 0.79 HIF1A (0.67) SLC29A1HIF1AADORA3
SCHEMBL21545786 0.79 HIF1A (0.64) SLC29A1HIF1AADORA3
SCHEMBL30011905 0.79 HIF1A (0.67) SLC29A1HIF1AADORA3

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-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 — — WO claimed
WO-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 — — WO disclosed
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