SCHEMBL14536836

SCHEMBL14536836

C[C@H]1C=C(c2csc(Nc3nccn4c(-c5cnn(C)c5)cnc34)n2)C=CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.55
▸ AURKB Q96GD4 7/20 0.55
▸ CHEK1 O14757 2/20 0.35
▸ TTK P33981 5/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ PKM P14618 2/20 0.30

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
SCHEMBL8241658 0.81 AURKA (0.62) AURKAAURKBCHEK1TTKPKM
SCHEMBL8239869 0.79 AURKA (0.68) AURKAAURKBCHEK1TTKFLT3
SCHEMBL8240285 0.75 AURKA (0.56) AURKAAURKBCHEK1TTKFLT3
SCHEMBL13154745 0.75 AURKA (0.56) AURKAAURKBCHEK1TTKFLT3
SCHEMBL8240802 0.74 AURKA (0.66) AURKAAURKBCHEK1TTKFLT3
SCHEMBL8240290 0.73 AURKA (0.67) AURKAAURKBCHEK1TTKFLT3
SCHEMBL8246421 0.72 AURKA (0.63) AURKAAURKBCHEK1TTKFLT3
SCHEMBL8239874 0.72 AURKA (0.69) AURKAAURKBCHEK1TTKFLT3
SCHEMBL13845549 0.72 AURKA (0.49) AURKAAURKBTTKFLT3
SCHEMBL8247201 0.72 AURKA (0.68) AURKAAURKBCHEK1TTKFLT3

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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
Send feedback