SCHEMBL14536958

SCHEMBL14536958

NN1C=C(c2cnc3c(Nc4nccs4)nccn23)CN1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.36
▸ AURKB Q96GD4 7/20 0.36
▸ GRM4 Q14833 1/20 0.33
▸ TTK P33981 2/20 0.32
▸ FLT3 P36888 3/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL14529936 0.81 PTK6 (0.35) AURKAAURKBTTKFLT3
SCHEMBL14536830 0.77 AURKA (0.37) AURKAAURKBTTKFLT3
SCHEMBL14536731 0.75 AURKA (0.49) AURKAAURKBGRM4TTKFLT3
SCHEMBL8240802 0.73 AURKA (0.66) AURKAAURKBTTKFLT3
SCHEMBL14530155 0.71 AURKA (0.43) AURKAAURKBTTKFLT3ADORA3
SCHEMBL30806208 0.69 GRM4 (0.38) AURKAAURKBGRM4ADORA3
SCHEMBL10161077 0.69 MAPKAPK5 (0.55) AURKAAURKBGRM4
SCHEMBL14537013 0.69 AURKA (0.48) AURKAAURKBGRM4TTKFLT3
SCHEMBL14529900 0.68 TTK (0.50) AURKAAURKBTTKFLT3
SCHEMBL14537080 0.68 AURKA (0.45) AURKAAURKBTTKFLT3ADORA3

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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