SCHEMBL11280448

SCHEMBL11280448

Nc1ncn(CC(O)CN2CCSCC2)c2ncnc1-2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.37
AHCY P23526 2/20 0.37
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10569301 0.80 KMT2A (0.49) ALDH1A1
SCHEMBL10569307 0.80 KMT2A (0.49) ALDH1A1
SCHEMBL10570833 0.80 KMT2A (0.49) ALDH1A1
SCHEMBL11280894 0.78 AHCY (0.64) ADORA2AAHCYADORA1ALDH1A1
SCHEMBL11283124 0.78 L3MBTL1 (0.41) ADORA2AAHCYADORA1ALDH1A1
SCHEMBL11289245 0.78 L3MBTL1 (0.41) ADORA2AAHCYADORA1ALDH1A1
SCHEMBL13997084 0.78 ADORA2A (0.43) ADORA2AAHCYADORA1ALDH1A1
SCHEMBL28115671 0.74 ADORA2A (0.56) ADORA2AAHCYADORA1ALDH1A1
SCHEMBL28025689 0.71 ALDH1A1 (0.46) ADORA2AAHCYADORA1ALDH1A1
SCHEMBL11280453 0.68 ADORA2A (0.31) ADORA2A

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
EP-0052964-A1 Adenine derivatives possessing pharmacological activity BEECHAM GROUP PLC (GB) 1982-06-02 EP claimed
EP-0052964-A1 Adenine derivatives possessing pharmacological activity BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed