SCHEMBL3131252

SCHEMBL3131252

CCOc1cc(C(N)c2cnccn2)ccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
PDE4B Q07343 5/20 0.38
PDE4A P27815 8/20 0.37
F7 P08709 1/20 0.37
KCNH2 Q12809 2/20 0.35
GAA P10253 1/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
ALPL P05186 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 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
SCHEMBL3126353 0.88 ATM (0.54) ATMPDE4BPDE4AKCNH2GAA
SCHEMBL3132080 0.87 ATM (0.42) ATMPDE4AF7KCNH2GAA
SCHEMBL3131812 0.85 ATM (0.54) ATMPDE4BPDE4AKCNH2GAA
SCHEMBL3120558 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL3200134 0.83 SLC6A2 (0.43) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3129614 0.81 PDE4B (0.40) PDE4BPDE4AKCNH2PDE4CPDE4D
SCHEMBL3130706 0.79 AAK1 (0.39) PDE4BPDE4AKCNH2PDE4CPDE4D
SCHEMBL3201429 0.75 PDE4B (0.38) PDE4BPDE4AF7KCNH2PDE4C
SCHEMBL3129659 0.73 PDE4B (0.38) PDE4BPDE4AF7KCNH2PDE4C
SCHEMBL16951534 0.71 RAB9A (0.40) PDE4BPDE4AKCNH2PDE4CPDE4D

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed