SCHEMBL6034138

SCHEMBL6034138

CSC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CI)[C@@H](O)[C@H]1O.Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CI)[C@@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.63
▸ LMNA P02545 1/20 0.59
▸ NT5E P21589 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ AHCY P23526 6/20 0.58
▸ NADK O95544 1/20 0.58
▸ DNMT1 P26358 2/20 0.55
▸ DNMT3B Q9UBC3 2/20 0.55
▸ CA5A P35218 1/20 0.53
▸ ADORA2A P29274 1/20 0.53
▸ PNMT P11086 1/20 0.51
▸ DOT1L Q8TEK3 1/20 0.51

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
SCHEMBL2047953 0.96 ADORA3 (0.66) ADORA3LMNANT5EHIF1AAHCY
SCHEMBL19849513 0.88 ADORA3 (0.77) ADORA3LMNANT5EHIF1AAHCY
SCHEMBL5362972 0.88 ADORA3 (0.77) ADORA3LMNANT5EHIF1AAHCY
SCHEMBL2404114 0.88 ADORA3 (0.77) ADORA3LMNANT5EHIF1AAHCY
SCHEMBL2048909 0.85 NT5E (0.81) ADORA3LMNANT5EHIF1ADNMT1
SCHEMBL2405804 0.84 ADORA3 (0.66) ADORA3AHCYNADKDNMT1DNMT3B
SCHEMBL2047948 0.82 AHCY (0.59) ADORA3AHCYNADKADORA2ADOT1L
SCHEMBL2405234 0.82 AHCY (0.59) ADORA3AHCYNADKADORA2ADOT1L
SCHEMBL2405239 0.82 AHCY (0.59) ADORA3AHCYNADKADORA2ADOT1L
SCHEMBL6035105 0.82 AHCY (0.59) ADORA3AHCYNADKADORA2ADOT1L

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444335-A4 MUTANT PURINE NUCLEOSIDE PHOSPHORYLASE PROTEINS AND CELLULAR DELIVERY THEREOF UAB RESEARCH FOUNDATION (US) 2006-03-08 — — EP disclosed
EP-1444335-A2 MUTANT PURINE NUCLEOSIDE PHOSPHORYLASE PROTEINS AND CELLULAR DELIVERY THEREOF UAB Research Foundation (US) 2004-08-11 — — EP disclosed
WO-2003035012-A2 MUTANT PURINE NUCLEOSIDE PHOSPHORYLASE PROTEINS AND CELLULAR DELIVERY THEREOF UAB RESEARCH FOUNDATION (US) 2003-05-01 — — WO disclosed
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