SCHEMBL5607919

SCHEMBL5607919

CCOC(=O)c1nn(CC)c(=O)c(Nc2cccc3ncccc23)c1C(C)=O.CCOC(=O)c1nn(CC)c(=O)c(Nc2cccnc2)c1C(C)=O.CCOC(=O)c1nn(CC)c(=O)c(Nc2cncc3ccccc23)c1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
PDE4B Q07343 3/20 0.37
CDC25B P30305 2/20 0.37
CDC25A P30304 1/20 0.37
CDC25C P30307 1/20 0.37
CSF1R P07333 1/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
UBE2N P61088 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL1994463 0.87 MEN1 (0.42) PDE4BCDC25BCDC25ACDC25CALDH1A1
SCHEMBL1994381 0.86 PDE4B (0.42) PDE4BCDC25BCDC25ACDC25CMAPT
SCHEMBL1993863 0.83 PDE4B (0.46) PDE4BCSF1RMAPTKDM4EALDH1A1
SCHEMBL5608178 0.81 PDE4B (0.35) BRAFEIF2AK3PDE4BMAPTKDM4E
SCHEMBL1996419 0.79 KMT2A (0.40) PDE4BMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1995355 0.78 PDE4B (0.41) PDE4BMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5263166 0.78 PDE4B (0.42) PDE4BMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1994578 0.78 PDE4B (0.40) PDE4BMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1997568 0.77 PDE4B (0.38) PDE4BMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1996261 0.77 PDE4B (0.40) PDE4BMAPTKDM4EALDH1A1SMN1; SMN2

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-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP claimed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed