SCHEMBL14538628

SCHEMBL14538628

Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.70
▸ PTK6 Q13882 6/20 0.45
▸ AURKB Q96GD4 13/20 0.41
▸ AURKA O14965 11/20 0.41
▸ LCK P06239 3/20 0.38

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
SCHEMBL12471141 0.93 CHEK1 (0.69) CHEK1PTK6AURKBAURKALCK
SCHEMBL12471034 0.92 CHEK1 (0.68) CHEK1PTK6AURKBAURKALCK
SCHEMBL14538629 0.91 CHEK1 (0.66) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473573 0.91 CHEK1 (0.66) CHEK1PTK6AURKBAURKALCK
SCHEMBL12471674 0.91 CHEK1 (0.66) CHEK1PTK6AURKBAURKALCK
SCHEMBL14507696 0.89 CHEK1 (0.77) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473566 0.86 CHEK1 (0.70) CHEK1PTK6AURKBAURKALCK
SCHEMBL14537065 0.85 CHEK1 (0.68) CHEK1PTK6AURKBAURKALCK
SCHEMBL12471221 0.85 CHEK1 (0.58) CHEK1PTK6AURKBAURKALCK
SCHEMBL12473567 0.85 CHEK1 (0.77) 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-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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