SCHEMBL3796368

SCHEMBL3796368

CNC(=O)OC1CCN(C(=O)c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.55
PTK6 Q13882 17/20 0.49
LCK P06239 5/20 0.49
AURKB Q96GD4 4/20 0.49

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
SCHEMBL2217167 0.89 MAPKAPK5 (0.56) MAPKAPK5PTK6LCKAURKB
SCHEMBL3794125 0.85 MAPKAPK5 (0.57) MAPKAPK5PTK6LCKAURKB
SCHEMBL2217389 0.83 MAPKAPK5 (0.59) MAPKAPK5PTK6LCKAURKB
SCHEMBL14369554 0.83 MAPKAPK5 (0.55) MAPKAPK5PTK6LCKAURKB
SCHEMBL2216055 0.82 MAPKAPK5 (0.62) MAPKAPK5PTK6LCKAURKB
SCHEMBL2218407 0.81 MAPKAPK5 (0.53) MAPKAPK5PTK6LCKAURKB
SCHEMBL2217385 0.81 MAPKAPK5 (0.68) MAPKAPK5PTK6LCKAURKB
SCHEMBL2220116 0.80 MAPKAPK5 (0.60) MAPKAPK5PTK6LCKAURKB
SCHEMBL2218488 0.80 MAPKAPK5 (0.56) MAPKAPK5PTK6LCKAURKB
SCHEMBL3793678 0.80 MAPKAPK5 (0.56) MAPKAPK5PTK6LCKAURKB

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-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed