SCHEMBL6674429

SCHEMBL6674429

CCn1cnc(O)c2nc(C3CC3)nc1-2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
CHRM3 P20309 3/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL6673569 0.82 PDE10A (0.32) PDE10AABL1SRCCHRM3PDE4A
SCHEMBL6155780 0.82 PDE10A (0.42) PDE10A
SCHEMBL1388163 0.80 PDE10A (0.35) PDE10AABL1SRCCHRM3PDE4A
SCHEMBL5964670 0.79 PDE10A (0.46) PDE10AABL1SRCCHRM3PDE4A
SCHEMBL6155336 0.78 MAP4K1 (0.32) ABL1SRC
Hydrochloric Acid SCHEMBL7326791 0.78 PDE10A (0.45) PDE10AABL1SRCCHRM3PDE4A
SCHEMBL1387994 0.77 PDE10A (0.48) PDE10AABL1SRCCHRM3PDE4A
Hydrochloric Acid SCHEMBL7032743 0.76 PDE10A (0.47) PDE10AABL1SRCCHRM3PDE4A
SCHEMBL1387905 0.76 CHRM3 (0.48) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL6673888 0.75 CDK1 (0.32)

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