SCHEMBL14764912

SCHEMBL14764912

COc1cccc2c1nc(C)c1nnc(-c3ccccc3Cl)n12

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 0.83
PDE10A Q9Y233 18/20 0.83
PDE4D Q08499 5/20 0.83
PDE6D O43924 4/20 0.83
PDE6A P16499 4/20 0.83
PDE6G P18545 4/20 0.83
PDE4A P27815 4/20 0.83
PDE6B P35913 4/20 0.83
PDE6C P51160 4/20 0.83
PDE4B Q07343 4/20 0.83
PDE4C Q08493 4/20 0.83
PDE6H Q13956 4/20 0.83
PDE11A Q9HCR9 1/20 0.55

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
SCHEMBL14765176 0.92 PDE2A (0.70) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL3325299 0.91 PDE2A (1.00) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14765201 0.88 PDE2A (0.67) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14764869 0.85 PDE2A (0.70) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14765049 0.85 PDE2A (0.64) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14765184 0.84 PDE2A (0.66) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14764983 0.83 PDE2A (0.67) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14765156 0.83 PDE2A (0.67) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14774006 0.82 PDE2A (0.62) PDE2APDE10APDE4DPDE6DPDE6A
SCHEMBL14765096 0.81 PDE2A (1.00) PDE2APDE10APDE4DPDE6DPDE6A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO claimed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed