SCHEMBL13445129

SCHEMBL13445129

c1nc2c(Nc3ccc(N4CCNCC4)nc3)ncc(-c3cn[nH]c3)n2n1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.66
PTK6 Q13882 11/20 0.52
AURKB Q96GD4 8/20 0.47
LCK P06239 6/20 0.47
ROCK2 O75116 3/20 0.41
CDK4 P11802 1/20 0.37
CDK6 Q00534 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
ASIC3 Q9UHC3 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
SCHEMBL12443302 0.91 MAPKAPK5 (0.67) MAPKAPK5PTK6AURKBLCKROCK2
SCHEMBL1476426 0.90 MAPKAPK5 (0.80) MAPKAPK5PTK6AURKBLCK
SCHEMBL12443304 0.90 MAPKAPK5 (0.65) MAPKAPK5PTK6AURKBLCK
SCHEMBL2219234 0.88 MAPKAPK5 (0.83) MAPKAPK5PTK6AURKBLCKROCK2
SCHEMBL14368592 0.87 MAPKAPK5 (0.63) MAPKAPK5PTK6AURKBLCKROCK2
SCHEMBL1475895 0.87 MAPKAPK5 (0.61) MAPKAPK5PTK6AURKBLCKKCNH2
SCHEMBL1476474 0.87 MAPKAPK5 (0.61) MAPKAPK5PTK6AURKBLCK
SCHEMBL1477845 0.85 MAPKAPK5 (0.59) MAPKAPK5PTK6AURKBLCKROCK2
SCHEMBL1475806 0.85 MAPKAPK5 (0.59) MAPKAPK5PTK6AURKBLCK
SCHEMBL14387555 0.83 MAPKAPK5 (0.65) MAPKAPK5PTK6AURKBLCKROCK2

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 2 patents. 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 disclosed
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO disclosed