SCHEMBL29707951

SCHEMBL29707951

NCCNC(=O)CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.63
▸ ADORA3 P0DMS8 6/20 0.60
▸ ADORA2A P29274 4/20 0.60
▸ ADORA2B P29275 2/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ SLC28A1 O00337 1/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ SLC28A2 O43868 1/20 0.60
▸ GAPDH P04406 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ STAT6 P42226 1/20 0.60
▸ PI4KA P42356 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ PI4K2B Q8TCG2 1/20 0.60
▸ DOT1L Q8TEK3 1/20 0.60
▸ SLC29A1 Q99808 1/20 0.60
▸ PI4K2A Q9BTU6 1/20 0.60
▸ SLC28A3 Q9HAS3 1/20 0.60

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
SCHEMBL25269461 1.00 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BDPP4
SCHEMBL15993927 1.00 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BDPP4
SCHEMBL17428139 0.89 ADORA1 (0.59) ADORA1ADORA3ADORA2AADORA2BDPP4
SCHEMBL18950669 0.89 HINT1 (0.52) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL16002740 0.89 HINT1 (0.52) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL15993870 0.89 HINT1 (0.52) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL2402156 0.85 ADORA1 (0.67) ADORA1ADORA3ADORA2AADORA2BDPP4
SCHEMBL2402159 0.85 ADORA1 (0.67) ADORA1ADORA3ADORA2AADORA2BDPP4
SCHEMBL16801790 0.85 ADORA1 (0.67) ADORA1ADORA3ADORA2AADORA2BDPP4
SCHEMBL16243296 0.85 ADORA3 (0.72) ADORA1ADORA3ADORA2AADORA2BDPP4

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
US-20230183746-A1 COMPOSITIONS FOR TRANSFER OF CARGO TO CELLS Sixfold Bioscience Ltd. (GB) 2023-06-15 — — US disclosed
EP-4022058-A2 COMPOSITIONS FOR TRANSFER OF CARGO TO CELLS Sixfold Bioscience Ltd. (GB) 2022-07-06 — — EP disclosed
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