SCHEMBL14536795

SCHEMBL14536795

Nn1cc(-c2cnc3c(Nc4ccc(N5CCNCC5)cc4)nccn23)cn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 13/20 0.54
▸ AURKA O14965 5/20 0.49
▸ FYN P06241 1/20 0.49
▸ PTK6 Q13882 1/20 0.45
▸ AURKB Q96GD4 3/20 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
SCHEMBL8246471 0.89 AURKA (0.62) MAPKAPK5AURKAFYNPTK6AURKB
SCHEMBL13954861 0.86 AURKB (0.56) MAPKAPK5AURKAFYNPTK6AURKB
SCHEMBL14530182 0.81 AURKA (0.53) MAPKAPK5AURKAFYNAURKB
SCHEMBL14536959 0.81 TTK (0.54) MAPKAPK5AURKAFYNAURKB
SCHEMBL27359527 0.81 FYN (0.62) MAPKAPK5AURKAFYNPTK6
SCHEMBL14536833 0.80 AURKA (0.48) MAPKAPK5AURKAFYNAURKB
SCHEMBL14537084 0.79 AURKA (0.46) AURKAAURKB
SCHEMBL27359540 0.79 MAPKAPK5 (0.60) MAPKAPK5FYNPTK6AURKB
SCHEMBL8240973 0.78 MAPKAPK5 (0.64) MAPKAPK5AURKAFYNAURKB
SCHEMBL14530020 0.78 AURKA (0.62) MAPKAPK5AURKAAURKB

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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