SCHEMBL14536837

SCHEMBL14536837

Bc1c(C)nsc1Nc1nccn2c(-c3cnn(C)c3)cnc12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.66
▸ AURKB Q96GD4 6/20 0.66
▸ CHEK1 O14757 2/20 0.42
▸ TTK P33981 5/20 0.34
▸ PTK6 Q13882 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32

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
SCHEMBL8240324 0.88 AURKA (0.66) AURKAAURKBCHEK1TTKPTK6
SCHEMBL8239904 0.80 AURKA (0.61) AURKAAURKBCHEK1TTKFYN
SCHEMBL8241208 0.79 AURKA (0.55) AURKAAURKBCHEK1TTKPTK6
SCHEMBL8241252 0.79 AURKA (1.00) AURKAAURKBCHEK1
SCHEMBL8247201 0.79 AURKA (0.68) AURKAAURKBCHEK1TTKPTK6
SCHEMBL12473190 0.77 AURKA (0.62) AURKAAURKBCHEK1TTKPTK6
SCHEMBL8239744 0.77 AURKA (0.64) AURKAAURKBCHEK1TTKFYN
SCHEMBL8240371 0.77 AURKA (0.70) AURKAAURKBCHEK1TTKFYN
SCHEMBL8246055 0.77 AURKA (0.64) AURKAAURKBCHEK1TTKPTK6
SCHEMBL14538573 0.76 AURKA (0.56) AURKAAURKBCHEK1TTKPTK6

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
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