SCHEMBL10878427

SCHEMBL10878427

COC(P)C(O)Cn1cnc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.65
▸ ADORA1 P30542 4/20 0.65
▸ AHCY P23526 8/20 0.62
▸ ALDH1A1 P00352 1/20 0.57
▸ PI4KA P42356 2/20 0.54
▸ PI4K2B Q8TCG2 2/20 0.54
▸ PI4K2A Q9BTU6 2/20 0.54
▸ PI4KB Q9UBF8 2/20 0.54
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA2B P29275 1/20 0.51
▸ NSD3 Q9BZ95 1/20 0.48

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
SCHEMBL22448462 0.85 AHCY (0.67) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL20671021 0.85 AHCY (0.67) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL336404 0.85 ADORA2A (0.65) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL886940 0.84 ADORA2A (0.63) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL3421178 0.81 ADORA2A (0.59) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL16504492 0.80 ADORA2A (0.74) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL10015788 0.80 ADORA2A (0.69) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL11474105 0.80 AHCY (0.76) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL1249908 0.80 ADORA2A (0.69) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL5810639 0.79 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA

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
EP-0206459-A2 9-(Phosphonylmethoxyalkyl) adenines, method for their preparation and their use Ceskoslovenska akademie ved (CS) 1986-12-30 — — EP disclosed
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