SCHEMBL7928882

SCHEMBL7928882

C=C(OCC1(c2nc3c(OC)ccc(-c4cncc(C#N)c4)n3n2)CC1)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.61
PDE4A P27815 5/20 0.39
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL508294 0.90 PDE4D (0.66) PDE4DPDE4A
SCHEMBL509337 0.86 PDE4D (0.64) PDE4DPDE4A
SCHEMBL508598 0.85 PDE4D (0.66) PDE4DPDE4A
SCHEMBL509370 0.85 PDE4D (0.79) PDE4DPDE4A
SCHEMBL508416 0.83 PDE4D (0.68) PDE4DPDE4APDE4BPDE4C
SCHEMBL508932 0.83 PDE4D (0.62) PDE4DPDE4A
SCHEMBL508292 0.83 PDE4D (0.62) PDE4DPDE4APDE4BPDE4C
SCHEMBL508996 0.81 PDE4D (0.60) PDE4DPDE4A
SCHEMBL17554726 0.81 PDE4D (0.58) PDE4D
SCHEMBL17554727 0.81 PDE4D (0.60) PDE4D

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
EP-2379548-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2016-03-09 EP disclosed
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO disclosed