SCHEMBL14536950

SCHEMBL14536950

Nc1nc2ccc(Nc3nccn4c(-c5cnn(N)c5)cnc34)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.44
▸ AURKB Q96GD4 5/20 0.42
▸ PIK3CD O00329 10/20 0.39
▸ PI4KA P42356 10/20 0.39
▸ PIK3CG P48736 10/20 0.39
▸ PI4KB Q9UBF8 10/20 0.39
▸ PIK3CA P42336 9/20 0.39
▸ PIP5K1C O60331 3/20 0.39
▸ PIK3CB P42338 8/20 0.39
▸ SYK P43405 1/20 0.39
▸ TTK P33981 2/20 0.35
▸ PTK6 Q13882 1/20 0.35

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
SCHEMBL14536831 0.85 AURKA (0.46) AURKAAURKBSYKTTKPTK6
SCHEMBL14536853 0.81 AURKA (0.46) AURKAAURKBTTKPTK6
SCHEMBL14537040 0.81 AURKA (0.48) AURKAAURKBTTKPTK6
SCHEMBL8240268 0.80 AURKA (0.58) AURKAAURKBPIK3CDPI4KAPIK3CG
SCHEMBL14530183 0.79 AURKA (0.45) AURKAAURKBTTKPTK6
SCHEMBL14536959 0.78 TTK (0.54) AURKAAURKBTTK
SCHEMBL14530182 0.78 AURKA (0.53) AURKAAURKBTTK
SCHEMBL14537044 0.77 AURKA (0.45) AURKAAURKBSYKTTKPTK6
SCHEMBL13954838 0.76 AURKA (0.45) AURKAAURKBTTKPTK6
SCHEMBL14537007 0.75 AURKA (0.48) AURKAAURKBTTK

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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