SCHEMBL6169558

SCHEMBL6169558

CCn1nc(-c2ccccc2)c(C(C)=O)c(N(c2cc(Cl)cc(Cl)c2)c2cc(Cl)cc(Cl)c2)c1=O.CCn1nc(-c2ccccc2)c(C(C)=O)c(N(c2cccc(C(C)=O)c2)c2cccc(C(C)=O)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.37
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK8 P49336 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
PRKCQ Q04759 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 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
SCHEMBL4709062 0.93 PDE4B (0.52) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4706054 0.92 PDE4B (0.50) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4708980 0.91 PDE4B (0.48) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4705820 0.90 PDE4B (0.44) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4707489 0.83 PDE4B (0.48) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4708625 0.81 PDE4B (0.47) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4708424 0.80 PDE4B (0.46) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4708024 0.80 PDE4B (0.46) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL4708098 0.77 PDE4B (0.54) PDE4BSMN1; SMN2TP53CSF1RFGFR1
SCHEMBL3042557 0.76 PDE4B (0.41) PDE4BSMN1; SMN2CSF1RFGFR1FLT1

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-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO disclosed