SCHEMBL14537055

SCHEMBL14537055

Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1[SH](=O)=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 11/20 0.65
▸ AURKA O14965 9/20 0.65
▸ CHEK1 O14757 1/20 0.40
▸ PTK6 Q13882 2/20 0.37
▸ LCK P06239 1/20 0.36
▸ TTK P33981 3/20 0.35
▸ FYN P06241 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
SCHEMBL15146142 0.87 AURKB (0.71) AURKBAURKACHEK1PTK6LCK
SCHEMBL14507416 0.84 AURKA (0.64) AURKBAURKACHEK1PTK6LCK
SCHEMBL12404532 0.84 AURKA (0.64) AURKBAURKACHEK1PTK6LCK
SCHEMBL12404530 0.83 AURKA (0.63) AURKBAURKACHEK1PTK6TTK
SCHEMBL14536769 0.82 AURKB (0.62) AURKBAURKACHEK1PTK6LCK
SCHEMBL12404529 0.81 AURKA (0.61) AURKBAURKACHEK1PTK6LCK
SCHEMBL12404525 0.81 AURKA (0.65) AURKBAURKACHEK1PTK6LCK
SCHEMBL12404535 0.81 AURKA (0.63) AURKBAURKACHEK1PTK6LCK
SCHEMBL12404526 0.81 AURKB (0.58) AURKBAURKACHEK1PTK6TTK
SCHEMBL14508124 0.80 AURKB (0.62) AURKBAURKACHEK1PTK6LCK

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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