SCHEMBL13955032

SCHEMBL13955032

CC1=NSC(Nc2nc(C3CCCNC3)cn3c(-c4cn[nH]c4)cnc23)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 11/20 0.51
▸ AURKA O14965 1/20 0.51
▸ PTK6 Q13882 12/20 0.46
▸ LCK P06239 8/20 0.42
▸ NRAS P01111 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL13954863 0.88 CHEK1 (0.45) AURKBAURKACHEK1IRAK4
SCHEMBL14507770 0.80 AURKB (0.62) AURKBAURKAPTK6LCKCHEK1
SCHEMBL13954940 0.79 AURKB (0.81) AURKBAURKAPTK6LCKCHEK1
SCHEMBL13954917 0.77 AURKB (0.60) AURKBAURKAPTK6LCKCHEK1
SCHEMBL13954920 0.77 LCK (0.47) AURKBAURKAPTK6LCKCHEK1
SCHEMBL13954903 0.75 AURKB (0.56) AURKBAURKAPTK6LCKCHEK1
SCHEMBL14346920 0.69 AURKB (0.45) AURKBAURKAPTK6LCKNRAS
SCHEMBL13954832 0.68 AURKB (0.68) AURKBAURKAPTK6LCKCHEK1
SCHEMBL13954830 0.68 AURKB (0.47) AURKBAURKAPTK6LCKFLT3
SCHEMBL14507450 0.67 AURKB (1.00) AURKBAURKAPTK6LCKCHEK1

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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