SCHEMBL5448172

SCHEMBL5448172

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CON2CC2)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ADORA3 P0DMS8 2/20 0.70
ADORA2A P29274 2/20 0.70
ADORA2B P29275 2/20 0.70
DPP4 P27487 1/20 0.70
MEN1 O00255 1/20 0.70
SLC28A1 O00337 1/20 0.70
MAP3K7 O43318 1/20 0.70
SLC28A2 O43868 1/20 0.70
GAPDH P04406 1/20 0.70
MAPK1 P28482 1/20 0.70
STAT6 P42226 1/20 0.70
PI4KA P42356 1/20 0.70
KMT2A Q03164 1/20 0.70
PI4K2B Q8TCG2 1/20 0.70
DOT1L Q8TEK3 1/20 0.70
SLC29A1 Q99808 1/20 0.70
PI4K2A Q9BTU6 1/20 0.70
SLC28A3 Q9HAS3 1/20 0.70

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
SCHEMBL8820093 0.95 ADORA1 (0.66) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL1238629 0.94 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13268716 0.91 ADK (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7803298 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2040670 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL5024895 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10997946 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL481524 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL12963362 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL17440176 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070178572-A1 Protein crystal structure MEDICAL RESEARCH COUNCIL (GB) 2007-08-02 US claimed
EP-1585816-A2 CRYSTAL STRUCTURE OF THE SET 7/9 HISTONE METHYL TRANSFERASE ACTIVE CATALYTIC DOMAIN AND USES THEREOF Medical Research Council (GB) 2005-10-19 EP claimed
WO-2004065592-A2 THE CRYSTAL STRUCTURE OF A CATALYTICALLY ACTIVE PORTION OF A SET 7/9 HISTONE METHYLTRANSFERASE AND USES THEREOF MEDICAL RESEARCH COUNCIL (GB) 2004-08-05 WO claimed
US-20070178572-A1 Protein crystal structure MEDICAL RESEARCH COUNCIL (GB) 2007-08-02 US disclosed
EP-1585816-A2 CRYSTAL STRUCTURE OF THE SET 7/9 HISTONE METHYL TRANSFERASE ACTIVE CATALYTIC DOMAIN AND USES THEREOF Medical Research Council (GB) 2005-10-19 EP disclosed
WO-2004065592-A2 THE CRYSTAL STRUCTURE OF A CATALYTICALLY ACTIVE PORTION OF A SET 7/9 HISTONE METHYLTRANSFERASE AND USES THEREOF MEDICAL RESEARCH COUNCIL (GB) 2004-08-05 WO disclosed