SCHEMBL9446941

SCHEMBL9446941

CCCC(=O)[C@]1(n2cnc3c(N)ncnc32)CC[C@@H](CO)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.43
ADORA3 P0DMS8 3/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SLC28A1 O00337 1/20 0.43
PI4K2A Q9BTU6 4/20 0.42
PI4KA P42356 3/20 0.42
PI4K2B Q8TCG2 3/20 0.42
PI4KB Q9UBF8 3/20 0.42
GMPS P49915 1/20 0.41
ADORA2B P29275 4/20 0.39
AHCY P23526 3/20 0.39
ADORA1 P30542 3/20 0.38
ADA P00813 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 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
SCHEMBL4745239 0.79 PI4K2A (0.52) ADORA2AADORA3PRMT5WDR77SLC28A1
SCHEMBL9813098 0.78 AHCY (0.49) ADORA2AADORA3PRMT5WDR77SLC28A1
SCHEMBL10427714 0.78 ADORA2A (0.50) ADORA2AADORA3PRMT5WDR77SLC28A1
SCHEMBL8094883 0.78 ADORA2A (0.50) ADORA2AADORA3PRMT5WDR77SLC28A1
SCHEMBL5180860 0.77 ADORA2A (0.49) ADORA2AADORA3PRMT5WDR77SLC28A1
SCHEMBL27889983 0.76 SLC28A1 (0.48) ADORA2AADORA3SLC28A1PI4K2API4KA
SCHEMBL6536153 0.75 PI4KA (0.46) ADORA2AADORA3SLC28A1PI4K2API4KA
SCHEMBL2053006 0.75 ADORA2A (0.48) ADORA2AADORA3SLC28A1PI4K2API4KA
Calcium SCHEMBL5323177 0.74 ADORA2A (0.47) ADORA2AADORA3SLC28A1PI4K2API4KA
SCHEMBL27730981 0.73 SLC28A1 (0.51) ADORA2AADORA3SLC28A1PI4K2API4KA

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
JP-5065285-A None JP disclosed
JP-H0565285-A N-ACYLNUCLEOSIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ASAHI CHEM IND CO LTD 1993-03-19 JP disclosed