SCHEMBL3469375

SCHEMBL3469375

COc1ccc(-c2cncc(C#N)c2)c2nc(C3(C(=O)O)CC3)nn12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.56
PDE4A P27815 1/20 0.43
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL509177 0.84 PDE4D (0.46) PDE4DPDE4A
SCHEMBL3469368 0.81 PDE4D (0.80) PDE4DPDE4A
SCHEMBL3470167 0.81 PDE4D (0.54) PDE4DPDE4A
SCHEMBL509263 0.79 PDE4D (0.53) PDE4DPDE4A
SCHEMBL3470588 0.76 PDE4D (0.53) PDE4DPDE4A
SCHEMBL16435086 0.74 PDE4D (0.73) PDE4DPDE4A
SCHEMBL17554744 0.74 PDE4D (0.40) PDE4DPDE4AGSK3BDYRK1A
SCHEMBL508339 0.73 PDE4D (0.46) PDE4DPDE4A
SCHEMBL508582 0.72 PDE4D (0.46) PDE4DPDE4A
SCHEMBL509960 0.72 PDE4D (0.66) PDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379548-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2016-03-09 EP claimed
US-8952162-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2015-02-10 US claimed
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO claimed
EP-2379548-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8952162-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2015-02-10 US disclosed
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO disclosed