SCHEMBL14765201

SCHEMBL14765201

COc1cccc2c1nc(C)c1nnc(-c3c(Cl)cccc3Cl)n12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.67
PDE10A Q9Y233 14/20 0.67
PDE6D O43924 3/20 0.67
PDE6A P16499 3/20 0.67
PDE6G P18545 3/20 0.67
PDE4A P27815 3/20 0.67
PDE6B P35913 3/20 0.67
PDE6C P51160 3/20 0.67
PDE4B Q07343 3/20 0.67
PDE4C Q08493 3/20 0.67
PDE4D Q08499 3/20 0.67
PDE6H Q13956 3/20 0.67
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 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
SCHEMBL14765049 0.94 PDE2A (0.64) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14764912 0.88 PDE2A (0.83) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765176 0.87 PDE2A (0.70) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3325299 0.81 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL16053877 0.80 PDE2A (0.57) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL16081642 0.80 PDE2A (0.60) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL15953391 0.78 PDE2A (0.56) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765106 0.75 PDE2A (0.73) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14764772 0.74 PDE2A (0.88) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL16053185 0.74 PDE2A (0.53) PDE2APDE10APDE6DPDE6APDE6G

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 2 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