SCHEMBL14643919

SCHEMBL14643919

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 14/20 0.66
▸ DOT1L Q8TEK3 4/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ GALR3 O60755 1/20 0.59
▸ S1PR4 O95977 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ S1PR1 P21453 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ PAX8 Q06710 1/20 0.59
▸ PRMT5 O14744 1/20 0.52
▸ DPP4 P27487 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC28A1 O00337 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ SLC28A2 O43868 1/20 0.51
▸ GAPDH P04406 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ MAPK1 P28482 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
SCHEMBL13065703 0.91 ADK (0.72) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20419279 0.91 ADK (0.72) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL17816342 0.91 ADK (0.72) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL14429016 0.90 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL14429014 0.90 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL14428970 0.90 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20058764 0.88 ADK (0.58) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20058773 0.88 ADK (0.69) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL14429130 0.86 ADK (0.59) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL26031484 0.86 ADK (0.68) ADKDOT1LNPC1GALR3S1PR4

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-2013009735-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-01-17 — — WO disclosed
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