SCHEMBL14242529

SCHEMBL14242529

CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
KCNN3 Q9UGI6 12/20 0.38
KCNN1 Q92952 2/20 0.36
KCNN2 Q9H2S1 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CRHR1 P34998 1/20 0.34
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL14242606 0.85 PDE10A (0.42) PDE10AKCNN3KCNN1KCNN2HSP90AA1
SCHEMBL2027726 0.83 PDE10A (0.40) PDE10AKCNN3KCNN1KCNN2MEN1
SCHEMBL14158263 0.82 PDE10A (0.51) PDE10AKCNN3KCNN1KCNN2MEN1
SCHEMBL5440050 0.81 PDE10A (0.39) PDE10AKCNN3KCNN1KCNN2MEN1
SCHEMBL13117303 0.80 PDE10A (0.38) PDE10AKCNN3KCNN1KCNN2PCSK9
SCHEMBL14242530 0.80 PAX8 (0.37) MEN1KMT2APAX8
SCHEMBL1934777 0.79 PDE10A (0.36) PDE10AKCNN3KCNN1KCNN2HSP90AA1
SCHEMBL1487759 0.78 PDE10A (0.36) PDE10AKCNN3HSP90AA1HSP90AB1
SCHEMBL13777950 0.78 ALDH1A1 (0.40) PDE10AKCNN3MEN1KMT2A
SCHEMBL13778080 0.78 PDE10A (0.38) PDE10AKCNN3MEN1KMT2APCSK9

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-2012170827-A2 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed