SCHEMBL14536790

SCHEMBL14536790

CS(=O)(=O)Cn1cc(-c2cnc3c(NC4Cc5ccc(N)cc5C4)nccn23)cn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.42
▸ AURKB Q96GD4 5/20 0.40
▸ FLT3 P36888 2/20 0.37
▸ TTK P33981 11/20 0.36

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
SCHEMBL14536951 0.90 AURKA (0.37) AURKAAURKBFLT3TTK
SCHEMBL8240298 0.86 AURKA (0.50) AURKAAURKBFLT3TTK
SCHEMBL14537078 0.70 ADORA3 (0.46) AURKAAURKBFLT3TTK
SCHEMBL8427934 0.69 ADORA3 (0.37) FLT3
SCHEMBL5394350 0.68 TTK (0.55) FLT3TTK
SCHEMBL8241176 0.68 AURKA (0.58) AURKAAURKBTTK
SCHEMBL8240135 0.67 AURKA (0.58) AURKAAURKBFLT3TTK
SCHEMBL5403454 0.67 FLT3 (0.51) FLT3TTK
SCHEMBL14537009 0.67 FLT3 (0.46) AURKAAURKBFLT3TTK
SCHEMBL8247827 0.66 AURKA (0.53) AURKAAURKBTTK

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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