SCHEMBL14536953

SCHEMBL14536953

Nn1cc(-c2cnc3c(Nc4cccc(-c5cnco5)c4)nccn23)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.42
▸ AURKB Q96GD4 5/20 0.42
▸ AAK1 Q2M2I8 2/20 0.41
▸ MAP4K4 O95819 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ CREBBP Q92793 1/20 0.37
▸ BRAF P15056 1/20 0.35
▸ MAPKAPK5 Q8IW41 2/20 0.35
▸ PRKCQ Q04759 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL8241671 0.89 AURKA (0.55) AURKAAURKBAAK1MAP4K4TTK
SCHEMBL14536959 0.81 TTK (0.54) AURKAAURKBTTKFYNMAPKAPK5
SCHEMBL14537007 0.80 AURKA (0.48) AURKAAURKBMAP4K4TTKMAPKAPK5
SCHEMBL14530182 0.79 AURKA (0.53) AURKAAURKBTTKFYNMAPKAPK5
SCHEMBL14530183 0.79 AURKA (0.45) AURKAAURKBTTKFYNMAPKAPK5
SCHEMBL14529898 0.79 TTK (0.44) AURKAAURKBTTKFYNMAPKAPK5
SCHEMBL14537040 0.78 AURKA (0.48) AURKAAURKBTTKFYNMAPKAPK5
SCHEMBL8240821 0.77 AURKA (0.62) AURKAAURKBTTKSYKFYN
SCHEMBL14536947 0.76 AURKA (0.44) AURKAAURKBTTKFYNMAPKAPK5
SCHEMBL13954838 0.74 AURKA (0.45) AURKAAURKBTTKMAPKAPK5

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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