SCHEMBL4463443

SCHEMBL4463443

CCCn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCC3)c2n1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
AXL P30530 2/20 0.39
MERTK Q12866 2/20 0.39
FLT3 P36888 1/20 0.39
CDK1 P06493 5/20 0.39
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
CSNK1E P49674 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CDK7 P50613 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 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
SCHEMBL6863948 0.86 CDK1 (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6863830 0.84 PDE5A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6865485 0.83 YTHDC1 (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131755 0.80 YTHDC1 (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3137729 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6862452 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3582728 0.76 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL3131402 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3137209 0.73 YTHDC1 (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3130747 0.72 CTSL (0.58) PDE4APDE4BPDE4CPDE4DPDE5A

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
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed