SCHEMBL14536794

SCHEMBL14536794

Nc1cc(Nc2nccn3c(-c4cnn(N)c4)cnc23)no1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.48
▸ AURKB Q96GD4 7/20 0.48
▸ TTK P33981 8/20 0.36
▸ FLT3 P36888 1/20 0.34
▸ MAPKAPK5 Q8IW41 3/20 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
SCHEMBL14536772 0.81 AURKA (0.51) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14538587 0.80 AURKA (0.44) AURKAAURKBTTKFLT3
SCHEMBL14537008 0.79 AURKA (0.46) AURKAAURKBTTKFLT3
SCHEMBL13954838 0.78 AURKA (0.45) AURKAAURKBTTKMAPKAPK5
SCHEMBL14530182 0.77 AURKA (0.53) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14536959 0.77 TTK (0.54) AURKAAURKBTTKMAPKAPK5
SCHEMBL13954587 0.77 AURKA (0.44) AURKAAURKBTTKMAPKAPK5
SCHEMBL8239771 0.76 AURKA (0.63) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14536731 0.76 AURKA (0.49) AURKAAURKBTTKFLT3MAPKAPK5
SCHEMBL14537007 0.75 AURKA (0.48) 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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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