SCHEMBL6909564

SCHEMBL6909564

Nc1nc(C2CC2)nc2c1nnn2C[C@H]1CN(Cc2ccccc2)CCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 19/20 1.00
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE8A O60658 1/20 0.53

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
SCHEMBL6911420 0.91 PDE8B (0.83) PDE8BPDE8A
SCHEMBL6910056 0.90 PDE8B (0.81) PDE8BMEN1ALDH1A1KMT2A
SCHEMBL6911029 0.90 PDE8B (0.81) PDE8BPDE8A
SCHEMBL6910428 0.87 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6910849 0.87 PDE8B (0.77) PDE8BALDH1A1PDE8A
SCHEMBL6910848 0.87 PDE8B (0.77) PDE8BALDH1A1PDE8A
SCHEMBL6911364 0.83 PDE8B (0.71) PDE8BPDE8A
SCHEMBL6910604 0.82 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6909200 0.81 PDE8B (0.77) PDE8BPDE8A
SCHEMBL6909220 0.81 PDE8B (0.77) 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