SCHEMBL13954946

SCHEMBL13954946

c1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(O[C@@H]2CCNC2)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.53
▸ AURKB Q96GD4 12/20 0.49
▸ AURKA O14965 3/20 0.49
▸ MAPKAPK5 Q8IW41 1/20 0.49
▸ LCK P06239 8/20 0.48
▸ NRAS P01111 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TTK P33981 1/20 0.40

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
SCHEMBL13954945 1.00 PTK6 (0.53) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL8239892 0.86 AURKA (0.56) PTK6AURKBAURKALCKFLT3
SCHEMBL8241321 0.86 AURKA (0.56) PTK6AURKBAURKALCKFLT3
SCHEMBL14538358 0.78 PTK6 (0.75) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL14536960 0.77 MAPKAPK5 (0.62) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL14538620 0.76 PTK6 (0.59) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL30138985 0.74 MAPKAPK5 (0.62) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL8246328 0.74 AURKA (0.56) PTK6AURKBAURKATTK
SCHEMBL13954839 0.73 PTK6 (0.55) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL14529968 0.73 PTK6 (0.49) PTK6AURKBAURKAMAPKAPK5LCK

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
Send feedback