SCHEMBL1652736

SCHEMBL1652736

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cncc(C(N)=O)c2)c1=O.CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cncc(Cl)c2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.61
TP53 P04637 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SIRT3 Q9NTG7 2/20 0.38
RIPK1 Q13546 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL3034020 0.95 PDE4B (0.68) PDE4BTP53SIRT2SIRT1SIRT3
SCHEMBL3029591 0.93 PDE4B (0.67) PDE4BTP53RIPK1HTR1AADRA1D
SCHEMBL3033083 0.88 PDE4B (0.76) PDE4BTP53HTR1AADRA1DADRA1A
SCHEMBL3029143 0.85 PDE4B (0.67) PDE4BTP53HTR1AADRA1DADRA1A
SCHEMBL4706065 0.84 PDE4B (0.70) PDE4BTP53SMN1; SMN2
SCHEMBL4705598 0.84 PDE4B (0.72) PDE4BTP53HTR1AADRA1DADRA1A
SCHEMBL3022893 0.83 PDE4B (0.55) PDE4B
SCHEMBL4708446 0.83 PDE4B (0.84) PDE4BTP53HTR1AADRA1DADRA1A
SCHEMBL4058811 0.82 PDE4B (0.70) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4708948 0.81 PDE4B (0.58) PDE4BTP53PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4679154-B2 2011-04-27 JP claimed
JP-2006515302-A 2006-05-25 JP claimed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP claimed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO claimed