SCHEMBL4679348

SCHEMBL4679348

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cscc2C(=O)O)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.67
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCQ Q04759 1/20 0.41

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
SCHEMBL3038320 0.91 PDE4B (0.61) PDE4BTP53SMN1; SMN2PDE4APDE4C
SCHEMBL4707690 0.89 PDE4B (0.70) PDE4BTP53SMN1; SMN2ADORA3ADORA1
SCHEMBL4706572 0.85 PDE4B (0.66) PDE4BTP53SMN1; SMN2ADORA3ADORA1
SCHEMBL4676352 0.84 PDE4B (0.64) PDE4BTP53SMN1; SMN2PDE4APDE4C
SCHEMBL4708171 0.84 PDE4B (0.64) PDE4BTP53SMN1; SMN2CSF1RFGFR1
SCHEMBL4055397 0.83 PDE4B (0.63) PDE4BTP53SMN1; SMN2PDE4APDE4C
SCHEMBL4706411 0.83 PDE4B (0.63) PDE4BTP53SMN1; SMN2PDE4APDE4C
SCHEMBL4705603 0.83 PDE4B (0.69) PDE4BTP53SMN1; SMN2PDE4APDE4C
SCHEMBL1652433 0.83 PDE4B (0.66) PDE4BTP53SMN1; SMN2PDE4APDE4C
SCHEMBL4708527 0.82 PDE4B (0.65) PDE4BTP53SMN1; SMN2PDE4APDE4C

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