SCHEMBL14536959

SCHEMBL14536959

Nn1cc(-c2cnc3c(Nc4ccccc4)nccn23)cn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.54
▸ AURKA O14965 8/20 0.53
▸ AURKB Q96GD4 6/20 0.46
▸ SRC P12931 1/20 0.41
▸ MAPKAPK5 Q8IW41 7/20 0.40
▸ FYN P06241 1/20 0.39

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
SCHEMBL14530182 0.91 AURKA (0.53) TTKAURKAAURKBMAPKAPK5FYN
SCHEMBL14537007 0.90 AURKA (0.48) TTKAURKAAURKBMAPKAPK5
SCHEMBL14529898 0.88 TTK (0.44) TTKAURKAAURKBMAPKAPK5FYN
SCHEMBL14537040 0.87 AURKA (0.48) TTKAURKAAURKBMAPKAPK5FYN
SCHEMBL14538587 0.86 AURKA (0.44) TTKAURKAAURKB
SCHEMBL8247273 0.86 AURKA (0.69) TTKAURKAAURKBSRCMAPKAPK5
SCHEMBL14530020 0.85 AURKA (0.62) TTKAURKAAURKBMAPKAPK5
SCHEMBL14536785 0.84 AURKA (0.41) TTKAURKAAURKBMAPKAPK5FYN
SCHEMBL14536759 0.83 AURKA (0.42) TTKAURKAAURKB
SCHEMBL14537008 0.82 AURKA (0.46) TTKAURKAAURKB

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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