SCHEMBL7947672

SCHEMBL7947672

CCn1c(CC(=O)O)nc2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.58
ADORA1 P30542 14/20 0.58
ADORA2B P29275 11/20 0.58
ADORA3 P0DMS8 7/20 0.58
FBP1 P09467 4/20 0.47
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL13977903 0.82 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL23885343 0.74 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL30052744 0.74 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL1755068 0.74 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18526490 0.73 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL30052722 0.71 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL23885221 0.71 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL15689328 0.71 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL29394367 0.71 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL4055632 0.70 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3FBP1

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
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 US disclosed
US-6133444-A PURINE PEPTIDE NUCLEIC ACIDS SYNTHONS PERSEPTIVE BIOSYSTEMS, INC. (US) 2000-10-17 US disclosed