SCHEMBL9813098

SCHEMBL9813098

Nc1ncnc2c1ncn2[C@@]1(C(=O)OCc2ccccc2)CC[C@@H](CO)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.49
DOT1L Q8TEK3 4/20 0.47
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ADORA2A P29274 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
SLC28A1 O00337 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
EGFR P00533 1/20 0.38
ADORA1 P30542 1/20 0.38
NT5E P21589 1/20 0.38
GMPS P49915 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 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
SCHEMBL10513954 0.79 DDB1 (0.36) PDE4DPDE3A
SCHEMBL9446941 0.78 ADORA2A (0.43) AHCYPRMT5WDR77ADORA2AADORA3
SCHEMBL8094883 0.76 ADORA2A (0.50) AHCYDOT1LPRMT5WDR77ADORA2A
SCHEMBL10427714 0.74 ADORA2A (0.50) AHCYDOT1LPRMT5WDR77ADORA2A
SCHEMBL5180860 0.73 ADORA2A (0.49) AHCYDOT1LPRMT5WDR77ADORA2A
SCHEMBL4745239 0.73 PI4K2A (0.52) AHCYPRMT5WDR77ADORA2AADORA3
SCHEMBL27730982 0.71 SLC28A1 (0.49) AHCYDOT1LADORA2AADORA3SLC28A1
SCHEMBL8704526 0.70 AHCY (0.47) AHCYDOT1LADORA2AADORA3SLC28A1
SCHEMBL2952014 0.69 SLC28A1 (0.48) DOT1LADORA2AADORA3SLC28A1PI4KA
SCHEMBL5860316 0.69 AHCY (0.56) AHCYDOT1LADORA2API4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437469-A1 NUCLEOSIDE DERIVATIVES NYCOMED AS (NO) 1991-07-24 EP disclosed
WO-1990004602-A1 NUCLEOSIDE DERIVATIVES NYCOMED AS (NO) 1990-05-03 WO disclosed
EP-0362967-A1 Nucleoside derivatives NYCOMED IMAGING AS (NO) 1990-04-11 EP disclosed