SCHEMBL13954838

SCHEMBL13954838

Bc1ncc(Nc2nccn3c(-c4cnn(N)c4)cnc23)cc1N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.45
▸ AURKB Q96GD4 6/20 0.45
▸ TTK P33981 4/20 0.38
▸ MAPKAPK5 Q8IW41 8/20 0.35
▸ PTK6 Q13882 1/20 0.34

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
SCHEMBL13954587 0.89 AURKA (0.44) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL14530182 0.82 AURKA (0.53) AURKAAURKBTTKMAPKAPK5
SCHEMBL14536959 0.82 TTK (0.54) AURKAAURKBTTKMAPKAPK5
SCHEMBL14537007 0.79 AURKA (0.48) AURKAAURKBTTKMAPKAPK5
SCHEMBL14537040 0.79 AURKA (0.48) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL14537008 0.79 AURKA (0.46) AURKAAURKBTTK
SCHEMBL14536794 0.78 AURKA (0.48) AURKAAURKBTTKMAPKAPK5
SCHEMBL14529898 0.78 TTK (0.44) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL12473190 0.77 AURKA (0.62) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL14530020 0.77 AURKA (0.62) AURKAAURKBTTKMAPKAPK5

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-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
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