SCHEMBL30208544

SCHEMBL30208544

N=C(N)NCC/C=C/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 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL30208628 0.85 LMNA (0.54) SLC29A1ADORA3
SCHEMBL30208557 0.83 POLA1 (0.52) —
SCHEMBL30208550 0.82 SLC29A1 (0.51) SLC29A1HIF1AADORA3
SCHEMBL21011330 0.79 HIF1A (0.67) SLC29A1HIF1AADORA3
SCHEMBL30011905 0.79 HIF1A (0.67) SLC29A1HIF1AADORA3
SCHEMBL21011332 0.79 HIF1A (0.67) SLC29A1HIF1AADORA3
SCHEMBL21545786 0.79 HIF1A (0.64) SLC29A1HIF1AADORA3
SCHEMBL9079668 0.78 HIF1A (0.60) SLC29A1HIF1AADORA3
SCHEMBL9079968 0.78 HIF1A (0.60) SLC29A1HIF1AADORA3
SCHEMBL30208528 0.78 HIF1A (0.56) 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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