SCHEMBL6675396

SCHEMBL6675396

O=c1ncn(Cc2ccccc2)c2nc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.70
PNP P00491 4/20 0.65
ADORA3 P0DMS8 1/20 0.51
ADORA2B P29275 1/20 0.51
KMT2A Q03164 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KDM4C Q9H3R0 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6673665 0.84 ACP1 (0.72) ACP1PNPADORA3ADORA2BKMT2A
SCHEMBL2979895 0.82 MEN1 (0.68) ACP1PNPKMT2AMEN1LMNA
SCHEMBL3306010 0.77 ACP1 (0.55) ACP1PNPADORA3ADORA2BKMT2A
SCHEMBL6673126 0.76 ADORA2A (0.49) ACP1ADORA3ADORA2BPDE4APDE4B
SCHEMBL6676183 0.74 PDE4A (0.53) ADORA3ADORA2BPDE4APDE4BPDE4C
SCHEMBL3306016 0.73 PNP (0.48) ACP1PNPKMT2AMEN1LMNA
SCHEMBL7812404 0.73 PARN (0.54) ACP1PNPADORA2BPDE4AKDM4C
SCHEMBL6428435 0.73 ADORA2B (0.52) ACP1PNPADORA3ADORA2BPDE4A
SCHEMBL6673901 0.72 ADORA2A (0.52) ADORA3ADORA2BKMT2APDE4APDE4B
SCHEMBL9032111 0.71 PNP (1.00) PNPADORA3ADORA2BKMT2APDE4A

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