SCHEMBL6673665

SCHEMBL6673665

S=c1ncn(Cc2ccccc2)c2nc[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.72
PNP P00491 4/20 0.49
ADORA2A P29274 1/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
KMT2A Q03164 1/20 0.45
TNF P01375 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL6675396 0.84 ACP1 (0.70) ACP1PNPADORA3ADORA2BPDE4A
SCHEMBL2979895 0.78 MEN1 (0.68) ACP1PNPADORA2API4KAPI4K2B
SCHEMBL6673807 0.76 KDM4E (0.46) ACP1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL3306010 0.72 ACP1 (0.55) ACP1PNPADORA3ADORA2BPDE4A
SCHEMBL6672680 0.71 GAA (0.49) ADORA2AADORA3ADORA2BPDE4APDE4B
SCHEMBL7989882 0.71 PNP (0.60) ACP1PNPADORA3ADORA2BPDE4A
SCHEMBL6676143 0.70 ADORA2B (0.46) ACP1ADORA2AADORA2BPDE4APDE4B
SCHEMBL6675413 0.70 KMT2A (0.50) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL9031047 0.70 PNP (0.75) PNPADORA2AADORA3ADORA2BPDE4A
SCHEMBL6675472 0.69 ALDH1A1 (0.39) ACP1ADORA2AADORA2BPDE4APDE4B

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