SCHEMBL14537065

SCHEMBL14537065

CNS(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.68
▸ PTK6 Q13882 3/20 0.41
▸ AURKB Q96GD4 13/20 0.40
▸ AURKA O14965 12/20 0.40
▸ LCK P06239 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
SCHEMBL12473566 0.93 CHEK1 (0.70) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473060 0.92 CHEK1 (0.66) CHEK1PTK6AURKBAURKALCK
SCHEMBL12470681 0.92 CHEK1 (0.65) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473570 0.91 CHEK1 (0.68) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473155 0.91 CHEK1 (0.68) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473568 0.90 CHEK1 (0.63) CHEK1PTK6AURKBAURKALCK
SCHEMBL12471217 0.90 CHEK1 (0.63) CHEK1PTK6AURKBAURKALCK
SCHEMBL13955027 0.90 CHEK1 (0.54) CHEK1PTK6AURKBAURKALCK
SCHEMBL12471166 0.90 CHEK1 (0.63) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473084 0.89 CHEK1 (0.66) CHEK1PTK6AURKBAURKALCK

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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