SCHEMBL5397108

SCHEMBL5397108

CCn1nc(-c2ccccc2)cc(N(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)c1=O.CCn1nc(-c2ccccc2)cc(N(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)c1=O.CCn1nc(-c2ccccc2)cc(Nc2ccc(C#N)cc2)c1=O.CCn1nc(-c2ccccc2)cc(Nc2ccc(F)c(Cl)c2)c1=O.CCn1nc(-c2ccccc2)cc(Nc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.36
ACP1 P24666 2/20 0.35
MCHR1 Q99705 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ADORA1 P30542 3/20 0.34
MAPT P10636 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL5753133 0.87 PDE4B (0.39) PDE4BADORA1MAPTADORA2AADORA2B
SCHEMBL4054075 0.80 ACP1 (0.50) PDE4BACP1ADORA1MAPTADORA2A
SCHEMBL4051327 0.77 KCNJ6 (0.46) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4061317 0.77 ABCG2 (0.54) PDE4BACP1ABCB1ABCG2ADORA1
SCHEMBL4053907 0.77 MEN1 (0.40) PDE4BADORA1MAPTADORA2A
SCHEMBL4051316 0.76 MEN1 (0.41) PDE4BADORA1MAPTADORA2A
SCHEMBL4052347 0.75 PDE4B (0.44) PDE4BADORA1MAPTADORA2AADORA2B
SCHEMBL4051810 0.70 MAPT (0.48) PDE4BACP1MAPT
SCHEMBL4055062 0.69 ABCG2 (0.41) PDE4BABCG2ADORA1MAPTADORA2A
SCHEMBL4058677 0.69 GSK3B (0.42) PDE4BACP1ABCB1ABCG2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007510689-A 2007-04-26 JP claimed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP claimed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO claimed