SCHEMBL4754113

SCHEMBL4754113

CC(CN)Cc1nc2c(sc3ncccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
KAT2B Q92831 2/20 0.42
LIMK1 P53667 1/20 0.42
TLR5 O60602 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
GRM1 Q13255 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
RAB9A P51151 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL4101670 0.90 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4102537 0.80 MAPT (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4109038 0.78 MAPT (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4752600 0.78 KIF11 (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13742519 0.74 MAPT (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5604490 0.72 KIF11 (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5489358 0.72 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5759177 0.72 KIF11 (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5232886 0.71 KIF11 (0.51) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL14367275 0.70 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed