SCHEMBL14536947

SCHEMBL14536947

CCc1nc(-c2cccc(Nc3nccn4c(-c5cnn(N)c5)cnc34)c2)cs1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.44
▸ AURKB Q96GD4 5/20 0.44
▸ EGFR P00533 4/20 0.40
▸ FYN P06241 1/20 0.36
▸ TTK P33981 4/20 0.36
▸ MAPKAPK5 Q8IW41 3/20 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
SCHEMBL8240979 0.81 AURKA (0.58) AURKAAURKBEGFRFYNTTK
SCHEMBL14536959 0.77 TTK (0.54) AURKAAURKBFYNTTKMAPKAPK5
SCHEMBL14536953 0.76 AURKA (0.42) AURKAAURKBEGFRFYNTTK
SCHEMBL14537040 0.76 AURKA (0.48) AURKAAURKBFYNTTKMAPKAPK5
SCHEMBL14536853 0.75 AURKA (0.46) AURKAAURKBTTKMAPKAPK5
SCHEMBL14529898 0.75 TTK (0.44) AURKAAURKBFYNTTKMAPKAPK5
SCHEMBL14537007 0.74 AURKA (0.48) AURKAAURKBTTKMAPKAPK5
SCHEMBL14536950 0.73 AURKA (0.44) AURKAAURKBTTK
SCHEMBL14530182 0.73 AURKA (0.53) AURKAAURKBFYNTTKMAPKAPK5
SCHEMBL14537044 0.73 AURKA (0.45) AURKAAURKBEGFRTTKMAPKAPK5

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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