SCHEMBL6911266

SCHEMBL6911266

Nc1nc(C(F)(F)F)nc2c1nnn2CC1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 17/20 0.72
PDE8A O60658 3/20 0.69
DRD4 P21917 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6910351 0.91 PDE8B (0.77) PDE8BPDE8A
SCHEMBL6910356 0.91 PDE8B (0.71) PDE8BPDE8AMEN1KMT2A
SCHEMBL6910855 0.90 PDE8B (0.68) PDE8BPDE8ADRD4
SCHEMBL6911420 0.86 PDE8B (0.83) PDE8BPDE8A
SCHEMBL6910452 0.83 PDE8B (1.00) PDE8BPDE8AMEN1KMT2A
SCHEMBL6909245 0.83 PDE8B (1.00) PDE8BPDE8AMEN1KMT2A
SCHEMBL17545207 0.82 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6911014 0.82 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6911364 0.80 PDE8B (0.71) PDE8BPDE8ADRD4
SCHEMBL6909224 0.79 PDE8B (0.72) PDE8BPDE8A

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-2011058478-A1 SUBSTITUTED TRIAZOLOPYRIMIDINES AS PDE8 INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed