SCHEMBL7146861

SCHEMBL7146861

COc1ccc(-c2cccc(C(C)=O)c2)n2nc(N)nc12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.70
FYN P06241 5/20 0.52

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
SCHEMBL7144542 0.86 PDE4D (0.53) PDE4DFYN
SCHEMBL509735 0.83 PDE4D (1.00) PDE4D
SCHEMBL7043841 0.82 MAPT (0.51) PDE4DFYN
SCHEMBL7145674 0.82 PDE10A (0.50) PDE4D
SCHEMBL7146570 0.81 PDE4D (0.48) PDE4DFYN
SCHEMBL6876513 0.81 PDE4D (0.48) PDE4DFYN
SCHEMBL509664 0.81 PDE4D (0.76) PDE4D
Bicarbonate SCHEMBL17554775 0.81 PDE4D (0.96) PDE4D
SCHEMBL2250839 0.80 PDE4D (0.64) PDE4D
SCHEMBL17571400 0.79 PDE4D (0.67) 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
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed