SCHEMBL4680593

SCHEMBL4680593

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2c(C)csc2C(=O)O)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.64
PDE4A P27815 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.39
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCQ Q04759 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
SCHEMBL4708372 0.87 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4707018 0.84 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL1652433 0.83 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4676352 0.82 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4705603 0.81 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4679348 0.80 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6174550 0.80 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL3032844 0.80 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4707368 0.79 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4706081 0.79 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed