SCHEMBL4678959

SCHEMBL4678959

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccsc2OC(=O)O)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.62
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
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
SCHEMBL6174550 0.88 PDE4B (0.64) PDE4BADORA3ADORA1SMN1; SMN2TP53
SCHEMBL1652433 0.87 PDE4B (0.66) PDE4BADORA3ADORA1SMN1; SMN2TP53
SCHEMBL3028488 0.87 PDE4B (0.60) PDE4BADORA3ADORA1SMN1; SMN2TP53
SCHEMBL3032844 0.82 PDE4B (0.66) PDE4BADORA3ADORA1SMN1; SMN2TP53
SCHEMBL4705603 0.81 PDE4B (0.69) PDE4BSMN1; SMN2TP53PDE4APDE4C
SCHEMBL4708015 0.81 PDE4B (0.65) PDE4BSMN1; SMN2TP53
SCHEMBL4707277 0.81 PDE4B (0.67) PDE4BADORA3ADORA1SMN1; SMN2TP53
SCHEMBL4708773 0.81 PDE4B (0.67) PDE4BADORA3ADORA1SMN1; SMN2TP53
SCHEMBL4707690 0.81 PDE4B (0.70) PDE4BADORA3ADORA1SMN1; SMN2TP53
SCHEMBL4706432 0.81 PDE4B (0.67) PDE4BADORA3ADORA1SMN1; SMN2TP53

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