SCHEMBL13954831

SCHEMBL13954831

Cn1cc(-c2cnc3c(NC4CC(C5CCCNC5)=NS4)nccn23)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.51
▸ AURKB Q96GD4 5/20 0.51
▸ FLT3 P36888 1/20 0.42
▸ CHEK1 O14757 13/20 0.40
▸ CCNA2 P20248 5/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ CCNA1 P78396 5/20 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
SCHEMBL13845492 0.95 AURKA (0.57) AURKAAURKBFLT3CHEK1CCNA2
SCHEMBL13954863 0.79 CHEK1 (0.45) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL8247571 0.78 AURKA (0.58) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL13954586 0.78 AURKB (0.49) AURKAAURKBFLT3CHEK1CCNA2
SCHEMBL8241235 0.77 AURKA (0.81) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL8241222 0.77 AURKA (0.58) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL8241005 0.77 AURKA (0.64) AURKAAURKBFLT3CHEK1
SCHEMBL8240948 0.76 AURKA (0.56) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL8240135 0.76 AURKA (0.58) AURKAAURKBFLT3
SCHEMBL8246210 0.75 AURKA (0.55) AURKAAURKBFLT3

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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