SCHEMBL6909245

SCHEMBL6909245

Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(Cc2ccccn2)CCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 19/20 1.00
PDE8A O60658 3/20 0.71
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
SCHEMBL6910452 1.00 PDE8B (1.00) PDE8BPDE8AMEN1KMT2A
SCHEMBL6909895 0.87 PDE8B (0.77) PDE8BPDE8A
SCHEMBL6911266 0.83 PDE8B (0.72) PDE8BPDE8AMEN1KMT2A
SCHEMBL6910356 0.83 PDE8B (0.71) PDE8BPDE8AMEN1KMT2A
SCHEMBL6911014 0.83 PDE8B (1.00) PDE8BPDE8A
SCHEMBL17545207 0.83 PDE8B (1.00) PDE8BPDE8A
SCHEMBL6910855 0.81 PDE8B (0.68) PDE8BPDE8A
SCHEMBL6910646 0.76 PDE8B (0.69) PDE8BPDE8A
SCHEMBL6910920 0.76 PDE8B (0.77) PDE8BPDE8A
SCHEMBL6910554 0.76 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