SCHEMBL5747425

SCHEMBL5747425

CCn1nc(-c2ccc(F)cc2)c(C#N)c(Nc2ccc(C#N)cc2)c1=O.CCn1nc(-c2ccc(F)cc2)c(C#N)c(Nc2ccc(CO)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CNR1 P21554 2/20 0.37
IDO1 P14902 1/20 0.36
JAK2 O60674 1/20 0.36
IGF1R P08069 1/20 0.36
PDGFRB P09619 1/20 0.36
MAPT P10636 1/20 0.36
KIT P10721 1/20 0.36
PIM1 P11309 1/20 0.36
JAK1 P23458 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCQ Q04759 1/20 0.36
BTK Q06187 1/20 0.36
MAPK14 Q16539 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL4049559 0.97 PDE4B (0.44) PDE4BMAPTKDM4EALDH1A1GAA
SCHEMBL4051201 0.93 PDE4B (0.44) PDE4BCYP11B1CYP11B2IDO1JAK2
SCHEMBL4052611 0.87 PDE4B (0.55) PDE4BMAPTKDM4EALDH1A1POLB
SCHEMBL4050693 0.86 PDE4B (0.43) PDE4BCYP11B1CYP11B2MAPTKDM4E
SCHEMBL5753107 0.85 PDE4B (0.39) PDE4BCYP11B1CYP11B2ADORA2BADORA1
SCHEMBL4054494 0.82 PDE4B (0.56) PDE4BMAPTKDM4EALDH1A1POLB
SCHEMBL4708670 0.82 PDE4B (0.63) PDE4BMAPTKDM4EALDH1A1POLB
SCHEMBL4050190 0.82 PDE4B (0.39) PDE4BJAK1KDM4EALDH1A1GAA
SCHEMBL5782757 0.81 PDE4B (0.41) PDE4BCNR1MAPTALDH1A1POLB
SCHEMBL4051111 0.81 PDE4B (0.44) PDE4BCYP11B1CYP11B2KDM4EALDH1A1

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