SCHEMBL6673897

SCHEMBL6673897

CCCCN1CNC(=O)c2[nH]cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.38
ADORA2A P29274 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
ADORA2B P29275 4/20 0.38
ADORA3 P0DMS8 1/20 0.38
HPRT1 P00492 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GDA Q9Y2T3 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL6673668 0.96 ADORA2B (0.40) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6673867 0.94 ADORA2B (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6676174 0.91 HPRT1 (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6679178 0.82 PDE2A (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6674159 0.79 GDA (0.32) ADORA2AADORA2BHPRT1GDA
SCHEMBL6672677 0.77 XDH (0.34) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6674432 0.77 GDA (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6675407 0.76 XDH (0.36) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6672658 0.75 XDH (0.37) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6675393 0.73 PNP (0.40) PDE4APDE4BPDE4CPDE4DADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP claimed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed