SCHEMBL4466950

SCHEMBL4466950

Fc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1.Fc1ccccc1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.66
PDE4B Q07343 9/20 0.66
PDE4C Q08493 9/20 0.66
PDE4D Q08499 9/20 0.66
PDE5A O76074 3/20 0.66
PDE1A P54750 3/20 0.66
PDE1B Q01064 3/20 0.66
PDE1C Q14123 3/20 0.66
YTHDC1 Q96MU7 2/20 0.52
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
CDK1 P06493 2/20 0.42
FLT3 P36888 1/20 0.42
PDGFRA P16234 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL3133509 0.93 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133601 0.92 YTHDC1 (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133797 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141261 0.89 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6862452 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133681 0.87 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141287 0.87 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133563 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131818 0.85 YTHDC1 (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3137729 0.85 PDE4A (0.63) 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