SCHEMBL14536772

SCHEMBL14536772

Cc1cc(Nc2nccn3c(-c4cnn(N)c4)cnc23)on1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.51
▸ AURKB Q96GD4 5/20 0.51
▸ TTK P33981 8/20 0.36
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MAPKAPK5 Q8IW41 3/20 0.34
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL8239782 0.88 AURKA (0.65) AURKAAURKBTTKAXLTYRO3
SCHEMBL14536794 0.81 AURKA (0.48) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL14537008 0.77 AURKA (0.46) AURKAAURKBTTKFLT3
SCHEMBL14536731 0.76 AURKA (0.49) AURKAAURKBTTKAXLTYRO3
SCHEMBL14530182 0.76 AURKA (0.53) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL14536959 0.76 TTK (0.54) AURKAAURKBTTKMAPKAPK5
SCHEMBL14536949 0.75 TTK (0.46) AURKAAURKBTTKFLT3
SCHEMBL13954838 0.74 AURKA (0.45) AURKAAURKBTTKMAPKAPK5
SCHEMBL13954584 0.74 AURKA (0.53) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL14530166 0.74 AURKA (0.48) AURKAAURKBTTKMAPKAPK5FLT3

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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