SCHEMBL16639167

SCHEMBL16639167

Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@H](F)C3)cc(N[C@H]3CC[C@@H](O)CC3)n2n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.82
PDE6D O43924 1/20 0.71
PDE5A O76074 1/20 0.71
PDE6A P16499 1/20 0.71
PDE6G P18545 1/20 0.71
PDE4A P27815 1/20 0.71
PDE6B P35913 1/20 0.71
PDE6C P51160 1/20 0.71
PDE4B Q07343 1/20 0.71
PDE4C Q08493 1/20 0.71
PDE4D Q08499 1/20 0.71
PDE6H Q13956 1/20 0.71
MAPK14 Q16539 3/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL14233778 0.93 PDE10A (0.80) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211793 0.92 PDE10A (0.69) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6899491 0.92 PDE10A (0.69) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6899554 0.91 PDE10A (0.68) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6900030 0.91 PDE10A (0.68) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211821 0.91 PDE10A (0.77) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6900019 0.91 PDE10A (0.79) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL16639194 0.90 PDE10A (0.76) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL2444063 0.90 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL2444062 0.90 PDE10A (1.00) PDE10APDE6DPDE5APDE6APDE6G

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
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed