SCHEMBL5405057

SCHEMBL5405057

CCn1nc(-c2ccccc2)cc(Nc2cc(F)c(F)c(F)c2)c1=O.CCn1nc(-c2ccccc2)cc(Nc2ccc(F)cc2)c1=O.CCn1nc(-c2cccnc2)cc(Nc2cccc3ncccc23)c1=O.CCn1nc(-c2ccncc2)cc(Nc2cccc3ncccc23)c1=O.Cn1nc(-c2cccnc2)cc(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.39
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACP1 P24666 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TBXAS1 P24557 1/20 0.35
BRAF P15056 1/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL4049841 0.81 TBXAS1 (0.49) PDE4BCYP3A4CYP2C19LMNAHTT
SCHEMBL4056450 0.80 PDE4B (0.46) PDE4BLMNAHTTTBXAS1
SCHEMBL4052027 0.79 PDE4B (0.54) PDE4BKDM4EACP1LMNAHTT
SCHEMBL4052155 0.78 PDE4B (0.50) PDE4BCYP2C19LMNAHTT
SCHEMBL5405067 0.75 ABCG2 (0.41) PDE4BTBXAS1
SCHEMBL4052347 0.75 PDE4B (0.44) PDE4BMAPT
SCHEMBL4051810 0.74 MAPT (0.48) PDE4BMAPTACP1LMNA
SCHEMBL5750630 0.73 TBXAS1 (0.46) PDE4BTSHRTBXAS1
SCHEMBL4059098 0.73 TBXAS1 (0.44) PDE4BTBXAS1
SCHEMBL4050499 0.73 PDE4B (0.46) PDE4BACP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007510689-A 2007-04-26 JP claimed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP claimed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO claimed