SCHEMBL6862452

SCHEMBL6862452

CCNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F.Fc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.Fc1ccccc1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.55
PDE4B Q07343 8/20 0.55
PDE4C Q08493 8/20 0.55
PDE4D Q08499 8/20 0.55
PDE5A O76074 2/20 0.55
PDE1A P54750 2/20 0.55
PDE1B Q01064 2/20 0.55
PDE1C Q14123 2/20 0.55
YTHDC1 Q96MU7 2/20 0.44
AXL P30530 2/20 0.42
MERTK Q12866 2/20 0.42
TYRO3 Q06418 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
FLT3 P36888 1/20 0.41
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 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
SCHEMBL4466950 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3137729 0.84 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133509 0.82 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133601 0.82 YTHDC1 (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131402 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141400 0.81 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133797 0.79 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141261 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6863830 0.78 PDE5A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141176 0.77 YTHDC1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP claimed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 WO claimed