SCHEMBL11519978

SCHEMBL11519978

CCNC(=O)[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(OCC)O[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ ADORA3 P0DMS8 6/20 0.50
▸ ADORA2A P29274 4/20 0.50
▸ HSP90B1 P14625 4/20 0.50
▸ ADORA2B P29275 4/20 0.50
▸ TSHR P16473 3/20 0.50
▸ ADORA1 P30542 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSP90AA1 P07900 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TMIGD3 P0DMS9 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ AHCY P23526 1/20 0.46
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45

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
SCHEMBL8954333 0.74 GAA (1.00) GAAADORA3ADORA2AADORA2BADORA1
SCHEMBL5944101 0.72 ADORA3 (0.56) ADORA3ADORA2AHSP90B1ADORA2BTSHR
SCHEMBL5944284 0.71 ADORA3 (0.53) ADORA3ADORA2AHSP90B1ADORA2BTSHR
SCHEMBL13689761 0.69 ADORA3 (0.71) ADORA3ADORA2AHSP90B1ADORA2BTSHR
SCHEMBL13901807 0.69 ADORA3 (0.71) ADORA3ADORA2AHSP90B1ADORA2BTSHR
SCHEMBL9024927 0.69 PRMT5 (0.58) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL9024944 0.69 PRMT5 (0.58) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL6297541 0.69 PRMT5 (0.58) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL11518921 0.69 PRMT5 (0.58) ADORA3ADORA2AHSP90B1ADORA2BADORA1
SCHEMBL26739953 0.68 GAA (0.55) GAAADORA3ADORA2AHSP90B1ADORA2B

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
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 — — US disclosed
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