SCHEMBL13065703

SCHEMBL13065703

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.72
▸ DOT1L Q8TEK3 3/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ HTT P42858 2/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ GALR3 O60755 1/20 0.71
▸ S1PR4 O95977 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ S1PR1 P21453 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ PAX8 Q06710 1/20 0.71
▸ MAPK1 P28482 3/20 0.62
▸ STAT6 P42226 2/20 0.62
▸ DPP4 P27487 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ SLC28A1 O00337 1/20 0.62
▸ MAP3K7 O43318 1/20 0.62
▸ SLC28A2 O43868 1/20 0.62
▸ GAPDH P04406 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62

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
SCHEMBL20419279 1.00 ADK (0.72) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL17816342 1.00 ADK (0.72) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL14429016 0.99 ADK (0.71) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL14428970 0.99 ADK (0.71) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL14429014 0.99 ADK (0.71) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL14643919 0.91 ADK (0.66) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL17816346 0.88 ADK (0.61) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL17816351 0.88 ADK (0.61) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL14274456 0.88 ADK (0.73) ADKDOT1LALDH1A1HTTNPC1
SCHEMBL14429130 0.88 ADK (0.59) ADKDOT1LALDH1A1HTTNPC1

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-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — WO disclosed
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