SCHEMBL20419264

SCHEMBL20419264

Nc1ncnc2c1c(I)cn2[C@H]1O[C@H](CO)C[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 14/20 0.61
▸ HASPIN Q8TF76 1/20 0.55
▸ RAB9A P51151 2/20 0.54
▸ MTOR P42345 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.48
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ STING1 Q86WV6 1/20 0.47
▸ DOT1L Q8TEK3 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PAX8 Q06710 1/20 0.46

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
SCHEMBL3768787 1.00 ADK (0.61) ADKHASPINRAB9AMTORSLC29A1
SCHEMBL13068771 1.00 ADK (0.61) ADKHASPINRAB9AMTORSLC29A1
SCHEMBL29363011 0.88 ADK (0.55) ADKHASPINRAB9AMTORSLC29A1
SCHEMBL14154378 0.88 ADK (0.60) ADKHASPINRAB9AMTORSLC29A1
SCHEMBL20419234 0.86 ADK (0.59) ADK
SCHEMBL20419136 0.86 ADK (0.59) ADK
SCHEMBL14134801 0.86 PRMT5 (0.48) ADKRAB9APRMT5WDR77DOT1L
SCHEMBL20938262 0.86 ADK (0.59) ADK
SCHEMBL20938333 0.86 ADK (0.46) ADKRAB9APRMT5DOT1LNPC1
SCHEMBL22912603 0.86 PRMT5 (0.48) ADKRAB9APRMT5WDR77DOT1L

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
WO-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 — — WO disclosed
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