SCHEMBL14397147

SCHEMBL14397147

Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](C(F)(F)F)[C@H]1O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.81
ADORA2B P29275 10/20 0.81
ADORA3 P0DMS8 2/20 0.63
ADORA1 P30542 1/20 0.58

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
SCHEMBL8115629 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4153023 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4152034 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4151696 0.89 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8102444 0.89 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8102432 0.89 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4152512 0.87 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4152507 0.87 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4157043 0.87 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4156738 0.85 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1

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
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 WO disclosed