SCHEMBL6167638

SCHEMBL6167638

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cccc(C(=O)O)c2)c1=O.CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccccc2F)c1=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.68
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
AKR1C4 P17516 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AURKA O14965 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 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
SCHEMBL6166894 0.97 PDE4B (0.64) PDE4BJAK1TYK2HTR1AADRA1D
SCHEMBL4706435 0.92 PDE4B (0.79) PDE4BAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6170443 0.90 PDE4B (0.62) PDE4BJAK1TYK2TP53SMN1; SMN2
SCHEMBL4708773 0.89 PDE4B (0.67) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4894028 0.87 PDE4B (0.72) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4710128 0.87 PDE4B (0.74) PDE4BSMN1; SMN2MEN1KMT2A
SCHEMBL4674510 0.86 PDE4B (0.69) PDE4BAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4706065 0.85 PDE4B (0.70) PDE4BTP53SMN1; SMN2MEN1KMT2A
SCHEMBL4706058 0.85 PDE4B (0.56) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4706107 0.84 PDE4B (0.70) PDE4BHTR1AADRA1DADRA1AADRA1B

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