SCHEMBL14536839

SCHEMBL14536839

Cn1cc(-c2cnc3c(Nc4ccc5[nH]nc(C6C=CN=CC6)c5c4)nccn23)cn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.48
▸ AURKB Q96GD4 6/20 0.47
▸ AXL P30530 9/20 0.43
▸ TTK P33981 1/20 0.38
▸ PTK6 Q13882 2/20 0.37
▸ MAPKAPK5 Q8IW41 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
SCHEMBL8246259 0.81 AURKA (0.55) AURKAAURKBAXLTTK
SCHEMBL8246264 0.79 AURKA (0.54) AURKAAURKBAXL
SCHEMBL8241606 0.73 AURKA (0.58) AURKAAURKBPTK6MAPKAPK5
SCHEMBL8240162 0.73 AURKA (0.62) AURKAAURKBAXLTTKPTK6
SCHEMBL8240330 0.72 AURKA (0.63) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL8426888 0.72 AURKA (0.58) AURKAAURKBAXLPTK6MAPKAPK5
SCHEMBL8240367 0.71 AURKA (0.60) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL14530382 0.71 AURKA (0.71) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL8246792 0.71 AURKA (0.62) AURKAAURKBTTKPTK6MAPKAPK5
SCHEMBL8246048 0.71 AURKA (0.66) AURKAAURKBTTKPTK6MAPKAPK5

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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