SCHEMBL5246246

SCHEMBL5246246

Cc1noc2nc(CCCBr)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KIF11 P52732 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
HPGD P15428 1/20 0.42
PPARG P37231 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DCTPP1 Q9H773 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
AGTR1 P30556 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3871568 0.89 SMN1; SMN2 (0.53) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6208538 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6208219 0.83 SMN1; SMN2 (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3901729 0.82 SMN1; SMN2 (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5741124 0.79 SMN1; SMN2 (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5741127 0.79 KIF11 (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6208130 0.78 KIF11 (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5742407 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKIF11
SCHEMBL5246052 0.77 TLR7 (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3961772 0.76 KIF11 (0.67) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781674-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTION OF CANCER AstraZeneca AB (SE) 2007-05-09 EP disclosed
WO-2006018628-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTI ON OF CANCER ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO disclosed