SCHEMBL18948230

SCHEMBL18948230

C[C@@H]1[C@H](n2cnc3c(O)ncnc32)O[C@@](CO)(CF)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 2/20 0.41
▸ PI4K2B Q8TCG2 2/20 0.41
▸ PI4K2A Q9BTU6 2/20 0.41
▸ PI4KB Q9UBF8 2/20 0.41
▸ ADORA3 P0DMS8 4/20 0.38
▸ SLC29A1 Q99808 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SLC28A1 O00337 1/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ SLC28A2 O43868 1/20 0.38
▸ GAPDH P04406 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ STAT6 P42226 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DOT1L Q8TEK3 1/20 0.38

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
SCHEMBL15203793 0.84 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL12170655 0.84 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL15203968 0.83 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL15203967 0.83 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL12170653 0.81 ADORA3 (0.56) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3659364 0.80 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3659976 0.80 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3659356 0.80 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3659974 0.80 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL15203665 0.79 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBADORA3

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
US-9676808-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2017-06-13 — — US disclosed
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