SCHEMBL300740

SCHEMBL300740

CCCNC(=O)O.COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3CC3)nc12

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.82
PDE4B Q07343 1/20 0.82
PDE4C Q08493 1/20 0.82
PDE4D Q08499 1/20 0.82

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
Bicarbonate SCHEMBL301011 0.91 PDE4A (0.96) PDE4APDE4BPDE4CPDE4D
SCHEMBL187090 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL300637 0.89 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
Carbamic Acid SCHEMBL300981 0.89 PDE4A (0.93) PDE4APDE4BPDE4CPDE4D
SCHEMBL300979 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL300715 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL300759 0.88 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
SCHEMBL301001 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL300747 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL187628 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D

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-2146989-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2012-01-04 EP claimed