SCHEMBL6169312

SCHEMBL6169312

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cc(Cl)cc(Cl)c2)c1=O.CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cc(F)cc(F)c2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 4/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
PARP1 P09874 1/20 0.40
TP53 P04637 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL4705746 0.94 PDE4B (0.72) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4705598 0.94 PDE4B (0.72) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4706954 0.86 PDE4B (0.58) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4058811 0.86 PDE4B (0.70) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4706107 0.86 PDE4B (0.70) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4707463 0.86 PDE4B (0.72) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4707352 0.86 PDE4B (0.69) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4707416 0.85 PDE4B (0.80) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4708776 0.85 PDE4B (0.80) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4706104 0.85 PDE4B (0.68) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A

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