SCHEMBL28011830

SCHEMBL28011830

Nc1ncnc2c1ncn2CC=NO

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 10/20 0.65
▸ ADORA2A P29274 8/20 0.59
▸ ADORA1 P30542 4/20 0.59
▸ PI4KA P42356 2/20 0.58
▸ PI4K2B Q8TCG2 2/20 0.58
▸ PI4K2A Q9BTU6 2/20 0.58
▸ PI4KB Q9UBF8 2/20 0.58
▸ ADORA2B P29275 1/20 0.55

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
SCHEMBL9474861 0.81 AHCY (0.61) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL6158904 0.80 AHCY (0.76) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1798270 0.80 ADORA2A (0.72) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL2561529 0.80 AHCY (0.66) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL15577353 0.80 AHCY (0.70) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1020380 0.79 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1871838 0.77 ADORA2A (0.75) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL11222112 0.77 ADORA2A (0.80) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8186426 0.77 AHCY (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL12925855 0.75 ADORA2A (0.71) AHCYADORA2AADORA1PI4KAPI4K2B

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
CN-104557548-A Method for extracting norcamphanone derivative and purine alkaloidal compounds from unicorn beetle UNIV HENAN SCIENCE & TECH 2015-04-29 — — CN disclosed
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