SCHEMBL7145674

SCHEMBL7145674

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
PDE4D Q08499 13/20 0.49
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
JAK1 P23458 1/20 0.43
HSP90AB1 P08238 2/20 0.43
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7043841 0.87 MAPT (0.51) PDE10APDE4DTSHRJAK1HSP90AB1
SCHEMBL6876513 0.86 PDE4D (0.48) PDE10APDE4DJAK1
SCHEMBL7146570 0.86 PDE4D (0.48) PDE10APDE4DTSHRJAK1
SCHEMBL2250839 0.85 PDE4D (0.64) PDE10APDE4DJAK1HSP90AB1
SCHEMBL7144538 0.84 PDE4D (0.49) PDE10APDE4DJAK1HSP90AB1HPGD
SCHEMBL7150018 0.83 DYRK3 (0.47) PDE10APDE4DTSHRHPGDHSD17B10
SCHEMBL7041043 0.82 PDE4D (0.46) PDE4DTSHRJAK1HSP90AB1POLB
SCHEMBL7146861 0.82 PDE4D (0.70) PDE4D
SCHEMBL7144542 0.79 PDE4D (0.53) PDE4DPOLB
SCHEMBL7043078 0.79 JAK1 (0.60) PDE10APDE4DMAPK1JAK1HSP90AB1

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