SCHEMBL7144542

SCHEMBL7144542

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.53
FYN P06241 11/20 0.53
BRAF P15056 2/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL7146861 0.86 PDE4D (0.70) PDE4DFYN
SCHEMBL509949 0.84 PDE4D (0.77) PDE4DFYN
SCHEMBL14888542 0.81 NUDT1 (0.58) FYNKDM4E
SCHEMBL7043841 0.79 MAPT (0.51) PDE4DFYNKDM4E
SCHEMBL7145674 0.79 PDE10A (0.50) PDE4DPOLB
SCHEMBL7766283 0.79 FYN (0.47) PDE4DFYNKDM4EPOLBNPSR1
SCHEMBL7146570 0.78 PDE4D (0.48) PDE4DFYN
SCHEMBL6876513 0.78 PDE4D (0.48) PDE4DFYN
SCHEMBL2250839 0.78 PDE4D (0.64) PDE4DKDM4E
SCHEMBL7150018 0.76 DYRK3 (0.47) PDE4DFYNKDM4ENPSR1

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