SCHEMBL14764861

SCHEMBL14764861

COc1cccc2nc(C)c3nnc(-c4ccccc4C)n3c12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 0.78
PDE10A Q9Y233 20/20 0.78
PDE6D O43924 4/20 0.60
PDE6A P16499 4/20 0.60
PDE6G P18545 4/20 0.60
PDE6B P35913 4/20 0.60
PDE6C P51160 4/20 0.60
PDE6H Q13956 4/20 0.60
PDE4A P27815 2/20 0.60
PDE4B Q07343 2/20 0.60
PDE4C Q08493 2/20 0.60
PDE4D Q08499 2/20 0.60
PDE5A O76074 1/20 0.50
PDE7A Q13946 1/20 0.50
PDE11A Q9HCR9 1/20 0.50

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
SCHEMBL14765096 0.88 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765187 0.87 PDE2A (0.67) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765076 0.86 PDE2A (0.72) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765020 0.86 PDE2A (0.65) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765055 0.85 PDE2A (0.71) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14764851 0.85 PDE2A (0.71) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765141 0.83 PDE2A (0.56) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14771537 0.83 PDE2A (0.56) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765106 0.82 PDE2A (0.73) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL16081702 0.80 PDE2A (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013034758-A1 SUBSTITUTED TRIAZOLOPYRAZINES AND USES THEREOF H. LUNDBECK A/S (DK) 2013-03-14 WO claimed
WO-2013034758-A1 SUBSTITUTED TRIAZOLOPYRAZINES AND USES THEREOF H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
WO-2013034758-A1 SUBSTITUTED TRIAZOLOPYRAZINES AND USES THEREOF H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed