SCHEMBL14537043

SCHEMBL14537043

N#Cc1ccc(Nc2nccn3c(-c4cnn(Cl)c4)cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.52
▸ AURKB Q96GD4 5/20 0.43
▸ TTK P33981 1/20 0.42
▸ MAPKAPK5 Q8IW41 10/20 0.41
▸ FYN P06241 1/20 0.40
▸ PTK6 Q13882 1/20 0.39
▸ SYK P43405 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
SCHEMBL8239751 0.88 AURKA (0.66) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14530382 0.74 AURKA (0.71) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL8240292 0.73 AURKA (0.70) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14536959 0.73 TTK (0.54) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14530182 0.73 AURKA (0.53) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL8247273 0.73 AURKA (0.69) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL8247167 0.73 AURKA (0.69) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL8246471 0.72 AURKA (0.62) AURKAAURKBMAPKAPK5FYNPTK6
SCHEMBL8246187 0.72 FYN (0.54) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL8240843 0.72 AURKA (0.64) AURKAAURKBTTKMAPKAPK5FYN

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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