SCHEMBL14536758

SCHEMBL14536758

Oc1ccc(Nc2nccn3c(-c4cnn(CF)c4)cnc23)cc1-c1cc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.40
▸ PTK6 Q13882 1/20 0.37
▸ AURKB Q96GD4 6/20 0.37
▸ TTK P33981 4/20 0.34
▸ MAPKAPK5 Q8IW41 7/20 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
SCHEMBL8246540 0.87 AURKA (0.54) AURKAPTK6AURKBTTKMAPKAPK5
SCHEMBL8427842 0.70 AURKA (0.32) AURKAPTK6AURKBMAPKAPK5
SCHEMBL14529931 0.68 AURKB (0.68) AURKAAURKB
SCHEMBL14536774 0.67 AURKA (0.38) AURKAPTK6AURKBTTKMAPKAPK5
SCHEMBL8240292 0.66 AURKA (0.70) AURKAPTK6AURKBTTKMAPKAPK5
SCHEMBL14536951 0.65 AURKA (0.37) AURKAAURKBTTK
SCHEMBL14537044 0.64 AURKA (0.45) AURKAPTK6AURKBTTKMAPKAPK5
SCHEMBL8241606 0.64 AURKA (0.58) AURKAPTK6AURKBMAPKAPK5
SCHEMBL8240330 0.64 AURKA (0.63) AURKAPTK6AURKBTTKMAPKAPK5
SCHEMBL14537085 0.63 AURKA (0.46) AURKAPTK6AURKBTTK

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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