SCHEMBL14536831

SCHEMBL14536831

Nn1cc(-c2cnc3c(Nc4ccc5ncsc5c4)nccn23)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.46
▸ AURKB Q96GD4 5/20 0.46
▸ LRRK2 Q5S007 1/20 0.40
▸ RIPK2 O43353 5/20 0.40
▸ RIPK3 Q9Y572 2/20 0.40
▸ IKBKB O14920 2/20 0.38
▸ MAPKAPK5 Q8IW41 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ PRKD1 Q15139 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ PTK6 Q13882 1/20 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
SCHEMBL8240189 0.89 AURKA (0.60) AURKAAURKBLRRK2RIPK2RIPK3
SCHEMBL14536950 0.85 AURKA (0.44) AURKAAURKBSYKTTKPTK6
SCHEMBL14536853 0.83 AURKA (0.46) AURKAAURKBMAPKAPK5TTKPTK6
SCHEMBL14530183 0.81 AURKA (0.45) AURKAAURKBMAPKAPK5PRKD1TTK
SCHEMBL14537040 0.80 AURKA (0.48) AURKAAURKBMAPKAPK5TTKPTK6
SCHEMBL14530182 0.79 AURKA (0.53) AURKAAURKBMAPKAPK5TTK
SCHEMBL14536959 0.79 TTK (0.54) AURKAAURKBMAPKAPK5TTK
SCHEMBL14537044 0.77 AURKA (0.45) AURKAAURKBMAPKAPK5SYKPRKD1
SCHEMBL14537007 0.77 AURKA (0.48) AURKAAURKBMAPKAPK5TTK
SCHEMBL14530020 0.76 AURKA (0.62) AURKAAURKBMAPKAPK5TTK

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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