SCHEMBL14536762

SCHEMBL14536762

Nn1cc(-c2cnc3c(Nc4ccc5c(c4)CCN5[S+](N)[O-])nccn23)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.45
▸ AURKB Q96GD4 6/20 0.40
▸ PTK6 Q13882 2/20 0.38
▸ MAPKAPK5 Q8IW41 8/20 0.37
▸ TTK P33981 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ WEE1 P30291 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
SCHEMBL14537084 0.78 AURKA (0.46) AURKAAURKB
SCHEMBL14537040 0.77 AURKA (0.48) AURKAAURKBPTK6MAPKAPK5TTK
SCHEMBL14536959 0.76 TTK (0.54) AURKAAURKBMAPKAPK5TTKFYN
SCHEMBL14530385 0.76 AURKA (0.45) AURKAAURKBPTK6MAPKAPK5TTK
SCHEMBL14530182 0.74 AURKA (0.53) AURKAAURKBMAPKAPK5TTKFYN
SCHEMBL14537007 0.74 AURKA (0.48) AURKAAURKBMAPKAPK5TTK
SCHEMBL8240213 0.73 AURKA (0.60) AURKAAURKBPTK6MAPKAPK5
SCHEMBL14530020 0.73 AURKA (0.62) AURKAAURKBMAPKAPK5TTK
SCHEMBL14530183 0.72 AURKA (0.45) AURKAAURKBPTK6MAPKAPK5TTK
SCHEMBL14537044 0.72 AURKA (0.45) AURKAAURKBPTK6MAPKAPK5TTK

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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