SCHEMBL13954948

SCHEMBL13954948

C1=NSC(Nc2nccn3c(-c4cn[nH]c4)cnc23)C1C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 9/20 0.43
▸ AURKA O14965 5/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ PTK6 Q13882 7/20 0.40
▸ FLT3 P36888 4/20 0.35
▸ LCK P06239 4/20 0.34
▸ NRAS P01111 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL13954586 0.86 AURKB (0.49) AURKBAURKAFLT3SYKCHEK1
SCHEMBL13954830 0.73 AURKB (0.47) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL13954832 0.72 AURKB (0.68) AURKBAURKAPTK6LCKCHEK1
SCHEMBL14538480 0.72 AURKB (0.49) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL13954947 0.69 AURKB (0.47) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL14536797 0.68 AURKB (0.50) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL10169418 0.66 MAPKAPK5 (0.51) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL2402248 0.66 MAPKAPK5 (0.51) AURKBAURKAMAPKAPK5PTK6FLT3
SCHEMBL12473154 0.66 AURKB (0.74) AURKBAURKAPTK6LCKCHEK1
SCHEMBL13954946 0.66 PTK6 (0.53) 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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