SCHEMBL881562

SCHEMBL881562

C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.40
▸ HIF1A Q16665 2/20 0.38
▸ DOT1L Q8TEK3 3/20 0.37
▸ GAPDH P04406 2/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SLC28A1 O00337 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ SLC28A2 O43868 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.37

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
SCHEMBL10101548 0.91 POLRMT (0.40) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL19101808 0.89 HIF1A (0.46) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL10154369 0.89 HIF1A (0.46) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL24982322 0.89 HIF1A (0.46) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL25008855 0.89 HIF1A (0.46) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL24982409 0.89 HIF1A (0.46) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL16710417 0.89 HIF1A (0.46) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL806951 0.86 POLRMT (0.40) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL16479516 0.86 POLRMT (0.40) POLRMTHIF1ADOT1LGAPDHADORA3
SCHEMBL19101901 0.86 POLRMT (0.40) POLRMTHIF1ADOT1LGAPDHADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
EP-2552931-B1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES GILEAD PHARMASSET LLC (US) 2014-07-23 — — EP disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
WO-2012012465-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS CLARKE, MICHAEL, O'NEIL HANRAHAN (US) 2012-01-26 — — WO disclosed
WO-2011150288-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-12-01 — — WO disclosed
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