SCHEMBL17554698

SCHEMBL17554698

COc1ccc(-c2ccc(OCC#N)cc2)n2nc(C3(C(=O)NC(C)C)CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.60
PDE4A P27815 2/20 0.53
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46

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
SCHEMBL508969 0.89 PDE4D (0.66) PDE4DPDE4A
SCHEMBL17554699 0.88 PDE4D (0.59) PDE4DPDE4A
SCHEMBL510024 0.83 PDE4D (0.63) PDE4DPDE4APDE4BPDE4C
SCHEMBL508989 0.83 PDE4D (0.80) PDE4DPDE4A
SCHEMBL509960 0.82 PDE4D (0.66) PDE4DPDE4A
SCHEMBL508560 0.80 PDE4D (0.68) PDE4D
SCHEMBL17554700 0.80 PDE4D (0.63) PDE4DPDE4A
SCHEMBL508949 0.80 PDE4D (0.83) PDE4DPDE4APDE4BPDE4C
SCHEMBL509671 0.79 PDE4D (0.65) PDE4D
SCHEMBL509950 0.78 PDE4D (0.68) 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 1 patent. 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