SCHEMBL6910056

SCHEMBL6910056

Clc1nc(C2CC2)nc2c1nnn2C[C@H]1CN(Cc2ccccc2)CCO1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 10/20 0.81
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD4 P21917 3/20 0.46
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6909564 0.90 PDE8B (1.00) PDE8BALDH1A1MEN1KMT2A
SCHEMBL6911420 0.81 PDE8B (0.83) PDE8B
SCHEMBL6911029 0.80 PDE8B (0.81) PDE8B
SCHEMBL6910848 0.78 PDE8B (0.77) PDE8BALDH1A1KDM4ESMN1; SMN2DRD4
SCHEMBL6910849 0.78 PDE8B (0.77) PDE8BALDH1A1KDM4ESMN1; SMN2DRD4
SCHEMBL6910428 0.77 PDE8B (1.00) PDE8B
SCHEMBL6911364 0.74 PDE8B (0.71) PDE8BDRD4
SCHEMBL1759315 0.72 PDE8B (0.54) PDE8BALDH1A1MEN1KMT2AGAA
SCHEMBL6910604 0.72 PDE8B (1.00) PDE8B
SCHEMBL6909200 0.70 PDE8B (0.77) PDE8B

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