SCHEMBL3825975

SCHEMBL3825975

CC(C)N1C2CCC1CN(c1ccc(Nc3ncc(-c4coc(C(=O)O)c4)n4ccnc34)cc1)C2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 13/20 0.60
FYN P06241 1/20 0.45
TTK P33981 5/20 0.43
AURKA O14965 1/20 0.37

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
SCHEMBL1570261 0.93 MAPKAPK5 (0.70) MAPKAPK5FYNTTKAURKA
SCHEMBL3817462 0.86 MAPKAPK5 (0.54) MAPKAPK5FYNTTKAURKA
SCHEMBL4297215 0.86 MAPKAPK5 (0.45) MAPKAPK5FYNTTK
SCHEMBL1570184 0.81 MAPKAPK5 (0.66) MAPKAPK5FYNTTKAURKA
SCHEMBL1674248 0.80 MAPKAPK5 (0.80) MAPKAPK5FYNTTKAURKA
SCHEMBL1570335 0.79 MAPKAPK5 (0.64) MAPKAPK5FYNTTKAURKA
SCHEMBL1570149 0.79 MAPKAPK5 (0.53) MAPKAPK5TTK
SCHEMBL2389877 0.76 MAPKAPK5 (0.64) MAPKAPK5FYNTTKAURKA
SCHEMBL10169148 0.75 MAPKAPK5 (0.87) MAPKAPK5FYNTTKAURKA
SCHEMBL2068760 0.75 MAPKAPK5 (1.00) MAPKAPK5FYNAURKA

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
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 WO disclosed