SCHEMBL10517348

SCHEMBL10517348

Nc1ncnc2c1ncn2C1(O)/C(=C/F)CCC1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
ADORA3 P0DMS8 3/20 0.47
SLC28A1 O00337 1/20 0.47
PI4KA P42356 3/20 0.46
PI4K2B Q8TCG2 3/20 0.46
PI4K2A Q9BTU6 3/20 0.46
PI4KB Q9UBF8 3/20 0.46
AHCY P23526 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
GMPS P49915 1/20 0.42
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL10517351 1.00 ADORA2A (0.47) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL9687595 0.69 PI4KA (0.54) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL9687602 0.69 PI4KA (0.54) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL23969763 0.68 PI4K2A (0.56) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL9023387 0.67 GMPS (0.49) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL10649999 0.67 PI4K2A (0.51) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL30382315 0.65 ADORA2A (0.52) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL8590840 0.65 ADORA3 (0.52) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL1980252 0.65 ADORA3 (0.52) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL10647704 0.64 PI4K2A (0.51) ADORA2AADORA3SLC28A1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304889-A2 Novel aristeromycin/adenosine derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-03-01 EP claimed
EP-0304889-A2 Novel aristeromycin/adenosine derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-03-01 EP disclosed