SCHEMBL236691

SCHEMBL236691

CCCC(O)Nc1ncnc2ccsc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
EGFR P00533 2/20 0.41
FADS1 O60427 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
LPAR1 Q92633 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
FLT1 P17948 1/20 0.38
SYK P43405 1/20 0.37
AURKB Q96GD4 4/20 0.36
AURKA O14965 3/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL234527 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13653497 0.75 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL22593285 0.72 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL18878177 0.72 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL234528 0.70 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2878014 0.69 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500685 0.69 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500676 0.69 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567313 0.68 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500823 0.68 PDE4A (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400961-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP claimed