SCHEMBL13954585

SCHEMBL13954585

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.55
▸ AURKB Q96GD4 5/20 0.55
▸ FLT3 P36888 2/20 0.38
▸ TTK P33981 6/20 0.36
▸ CHEK1 O14757 3/20 0.34
▸ FYN P06241 2/20 0.34
▸ CHEK2 O96017 1/20 0.34

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
SCHEMBL8240135 0.82 AURKA (0.58) AURKAAURKBFLT3TTK
SCHEMBL8246210 0.79 AURKA (0.55) AURKAAURKBFLT3TTK
SCHEMBL8240570 0.79 AURKA (0.63) AURKAAURKBFLT3TTKCHEK1
SCHEMBL8240563 0.77 AURKA (0.53) AURKAAURKBFLT3TTK
SCHEMBL8241005 0.77 AURKA (0.64) AURKAAURKBFLT3TTKCHEK1
SCHEMBL13954586 0.76 AURKB (0.49) AURKAAURKBFLT3TTKCHEK1
SCHEMBL8239708 0.76 AURKA (0.62) AURKAAURKBFLT3TTK
SCHEMBL8240574 0.76 AURKA (0.59) AURKAAURKBFLT3TTK
SCHEMBL13845492 0.76 AURKA (0.57) AURKAAURKBFLT3TTKCHEK1
SCHEMBL8239744 0.75 AURKA (0.64) AURKAAURKBFLT3TTKCHEK1

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