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SCHEMBL6910849

SCHEMBL6910849

Cc1nc(N)c2nnn(CC3CN(Cc4ccccc4)CCO3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 14/20 0.77
▸ PDE8A O60658 3/20 0.69
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ DRD4 P21917 1/20 0.47

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
SCHEMBL6910848 1.00 PDE8B (0.77) PDE8BPDE8AALDH1A1LMNASMN1; SMN2
SCHEMBL6909177 0.87 PDE8B (0.72) PDE8BPDE8AALDH1A1LMNASMN1; SMN2
SCHEMBL6909895 0.87 PDE8B (0.77) PDE8BPDE8AALDH1A1LMNAADORA3
SCHEMBL6910951 0.87 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6909462 0.87 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6910946 0.87 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6909564 0.87 PDE8B (1.00) PDE8BPDE8AALDH1A1
SCHEMBL6910646 0.87 PDE8B (0.69) PDE8BPDE8AALDH1A1LMNA
SCHEMBL6910920 0.86 PDE8B (0.77) PDE8BPDE8A
SCHEMBL6910554 0.84 PDE8B (0.71) 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