SCHEMBL6208538

SCHEMBL6208538

CCCCNCCCc1nc2onc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KIF11 P52732 1/20 0.45
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TLR7 Q9NYK1 5/20 0.41
PPARG P37231 2/20 0.41
ENPP2 Q13822 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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 0.87 SMN1; SMN2 (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5246246 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5246052 0.85 TLR7 (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5741124 0.81 SMN1; SMN2 (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4040581 0.79 KIF11 (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3901729 0.78 SMN1; SMN2 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5741127 0.76 KIF11 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5739696 0.76 KIF11 (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6208130 0.75 KIF11 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6208219 0.75 SMN1; SMN2 (0.45) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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