SCHEMBL14537083

SCHEMBL14537083

c1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc3c(c2)NCCC3)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.56
▸ MAPKAPK5 Q8IW41 2/20 0.54
▸ AURKB Q96GD4 10/20 0.54
▸ AURKA O14965 2/20 0.54
▸ LCK P06239 7/20 0.45

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
SCHEMBL8247437 0.84 AURKA (0.57) PTK6MAPKAPK5AURKBAURKA
SCHEMBL14530385 0.83 AURKA (0.45) PTK6MAPKAPK5AURKBAURKA
SCHEMBL13954839 0.80 PTK6 (0.55) PTK6MAPKAPK5AURKBAURKALCK
SCHEMBL14530726 0.77 PTK6 (0.56) PTK6MAPKAPK5AURKBAURKALCK
SCHEMBL30138985 0.77 MAPKAPK5 (0.62) PTK6MAPKAPK5AURKBAURKALCK
SCHEMBL14536960 0.77 MAPKAPK5 (0.62) PTK6MAPKAPK5AURKBAURKALCK
SCHEMBL14530402 0.76 MAPKAPK5 (0.58) PTK6MAPKAPK5AURKBAURKALCK
SCHEMBL14536802 0.76 PTK6 (0.54) PTK6MAPKAPK5AURKBAURKALCK
SCHEMBL14538358 0.76 PTK6 (0.75) PTK6MAPKAPK5AURKBAURKALCK
SCHEMBL1674071 0.74 MAPKAPK5 (0.70) PTK6MAPKAPK5AURKBAURKALCK

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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