SCHEMBL18947543

SCHEMBL18947543

C[C@@H]1[C@H](n2cnc3c(N)ccnc32)OC(CO)(CO)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.49
▸ ADORA2B P29275 3/20 0.49
▸ AHCY P23526 1/20 0.48
▸ DNMT1 P26358 1/20 0.43
▸ DNMT3B Q9UBC3 1/20 0.43
▸ PI4KA P42356 2/20 0.38
▸ PI4K2B Q8TCG2 2/20 0.38
▸ PI4K2A Q9BTU6 2/20 0.38
▸ PI4KB Q9UBF8 2/20 0.38
▸ 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
▸ GAPDH P04406 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL18947537 0.87 AHCY (0.50) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL18947539 0.87 ADORA2A (0.36) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL18947552 0.86 ADORA2A (0.48) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL18947531 0.84 ADORA2A (0.48) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL18947534 0.84 ADORA2A (0.48) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL12170653 0.82 ADORA3 (0.56) ADORA2AADORA2BAHCYPI4KAPI4K2B
SCHEMBL15070300 0.82 ADORA2A (0.48) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL17358612 0.82 AHCY (0.49) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL15070360 0.81 AHCY (0.46) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL16375327 0.81 AHCY (0.46) ADORA2AADORA2BAHCYDNMT1DNMT3B

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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