SCHEMBL6909895

SCHEMBL6909895

Cc1nc(N)c2nnn(CC3CN(Cc4ccccn4)CCO3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 18/20 0.77
PDE8A O60658 3/20 0.70
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL6910646 0.89 PDE8B (0.69) PDE8BPDE8AALDH1A1LMNA
SCHEMBL6910920 0.89 PDE8B (0.77) PDE8BPDE8A
SCHEMBL6910554 0.88 PDE8B (0.71) PDE8BPDE8A
SCHEMBL6910848 0.87 PDE8B (0.77) PDE8BPDE8AALDH1A1LMNAADORA3
SCHEMBL6910849 0.87 PDE8B (0.77) PDE8BPDE8AALDH1A1LMNAADORA3
SCHEMBL6910452 0.87 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6909245 0.87 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6909177 0.84 PDE8B (0.72) PDE8BPDE8AALDH1A1LMNAADORA3
SCHEMBL6909917 0.83 PDE8B (0.66) PDE8BPDE8A
SCHEMBL6910585 0.82 PDE8B (1.00) 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