SCHEMBL7574648

SCHEMBL7574648

CCC(CC)Nc1nc(NC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1OC=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.44
ADORA3 P0DMS8 7/20 0.42
ADORA1 P30542 5/20 0.42
ADORA2B P29275 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7574650 0.96 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7202130 0.94 ADORA2A (0.46) ADORA2A
SCHEMBL7211360 0.93 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL7208885 0.91 ADORA2A (0.38) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7574645 0.90 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7202131 0.90 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7204932 0.89 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL7211364 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6838968 0.88 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL7208763 0.87 CCNA2 (0.39) ADORA2AADORA2B

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-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed