SCHEMBL7140260

SCHEMBL7140260

Cn1cnc2c(N)ncnc21.[Zn]

nearest known ligand 0.96

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.96
ADORA1 P30542 7/20 0.96
ADORA2B P29275 3/20 0.59
PI4KA P42356 8/20 0.58
PI4K2B Q8TCG2 8/20 0.58
PI4K2A Q9BTU6 8/20 0.58
PI4KB Q9UBF8 8/20 0.58
YTHDC1 Q96MU7 1/20 0.55
CDK1 P06493 1/20 0.53
EGFR P00533 1/20 0.50
AHCY P23526 1/20 0.49

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
SCHEMBL106573 0.98 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL7147821 0.96 ADORA2A (0.96) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Furan SCHEMBL28428657 0.86 ADORA2A (0.77) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4661802 0.79 ADORA2A (0.65) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL580610 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.76 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL28413958 0.75 ADORA2A (0.62) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL667204 0.75 ADORA2A (0.62) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL441875 0.75 ADORA1 (0.62) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL6883849 0.74 ADORA2A (0.61) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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
EP-1042344-B1 CONDUCTIVE METAL-CONTAINING NUCLEIC ACIDS UNIV SASKATCHEWAN (CA) 2003-11-12 EP disclosed