SCHEMBL13954830

SCHEMBL13954830

c1cn2c(-c3cn[nH]c3)cnc2c(NC2CC(C3CC3)=NS2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 5/20 0.47
▸ AURKA O14965 4/20 0.47
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ PTK6 Q13882 5/20 0.40
▸ FLT3 P36888 2/20 0.39
▸ TTK P33981 7/20 0.38
▸ LCK P06239 2/20 0.36

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
SCHEMBL13954947 0.80 AURKB (0.47) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL13845492 0.75 AURKA (0.57) AURKBAURKAFLT3TTK
SCHEMBL13954831 0.74 AURKA (0.51) AURKBAURKAFLT3
SCHEMBL2402248 0.73 MAPKAPK5 (0.51) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL10169418 0.73 MAPKAPK5 (0.51) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL13954834 0.69 MAPKAPK5 (0.46) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL14536960 0.68 MAPKAPK5 (0.62) AURKBAURKAMAPKAPK5PTK6TTK
SCHEMBL30138985 0.68 MAPKAPK5 (0.62) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL13955032 0.68 AURKB (0.51) AURKBAURKAPTK6FLT3LCK
SCHEMBL12473053 0.68 AURKB (0.54) AURKBAURKAMAPKAPK5PTK6FLT3

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
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