SCHEMBL27730982

SCHEMBL27730982

Nc1ncnc2c1ncn2[C@@]1(C(=O)Cc2ccccc2)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 2/20 0.49
ADORA2A P29274 4/20 0.45
ADORA3 P0DMS8 4/20 0.45
AHCY P23526 2/20 0.41
GMPS P49915 1/20 0.41
PI4KA P42356 3/20 0.40
PI4K2B Q8TCG2 3/20 0.40
PI4K2A Q9BTU6 3/20 0.40
PI4KB Q9UBF8 3/20 0.40
DPP4 P27487 1/20 0.40
MEN1 O00255 1/20 0.40
MAP3K7 O43318 1/20 0.40
SLC28A2 O43868 1/20 0.40
GAPDH P04406 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
STAT6 P42226 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2952014 0.87 SLC28A1 (0.48) SLC28A1ADORA2AADORA3GMPSPI4KA
SCHEMBL8058704 0.87 SLC28A1 (0.52) SLC28A1ADORA2AADORA3AHCYGMPS
SCHEMBL27730981 0.86 SLC28A1 (0.51) SLC28A1ADORA2AADORA3AHCYGMPS
Phosphoric Acid SCHEMBL20702110 0.84 SLC28A1 (0.46) SLC28A1ADORA2AADORA3GMPSPI4KA
SCHEMBL15875792 0.84 SLC28A1 (0.53) SLC28A1ADORA2AADORA3AHCYGMPS
SCHEMBL27889983 0.83 SLC28A1 (0.48) SLC28A1ADORA2AADORA3AHCYGMPS
SCHEMBL3470713 0.81 SLC28A1 (0.50) SLC28A1ADORA2AADORA3AHCYGMPS
SCHEMBL1140502 0.81 SLC28A1 (0.50) SLC28A1ADORA2AADORA3GMPSPI4KA
SCHEMBL29817041 0.80 SLC28A1 (0.45) SLC28A1ADORA2AADORA3GMPSPI4KA
SCHEMBL8773595 0.80 SLC28A1 (0.48) SLC28A1ADORA2AADORA3GMPSPI4KA

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
CN-101220069-B Method for synthesizing deoxyadenosine compounds SHANGHAI CHEMPARTNER CO LTD 2013-02-13 CN disclosed
CN-101220069-A Method for synthesizing deoxyadenosine compounds SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN disclosed