SCHEMBL13984087

SCHEMBL13984087

CCOC(=O)COC[C@@H](C)CCc1ncnc2oc(-c3ccccc3)c(-c3ccc(CC)cn3)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.46
EGFR P00533 3/20 0.38
AURKB Q96GD4 4/20 0.37
CHEK1 O14757 1/20 0.35
POLB P06746 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 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
SCHEMBL13984090 0.92 CHEK1 (0.39) AURKAEGFRAURKBCHEK1
SCHEMBL14463861 0.91 AURKA (0.51) AURKAEGFRAURKBCHEK1
SCHEMBL12409703 0.88 AURKA (0.46) AURKAEGFRAURKBCHEK1POLB
SCHEMBL12409723 0.79 CHEK1 (0.40) AURKAEGFRAURKBCHEK1
SCHEMBL4533435 0.79 AURKA (0.52) AURKAEGFRAURKBCHEK1
SCHEMBL13983968 0.79 AURKA (0.38) AURKAEGFRAURKBCHEK1
SCHEMBL13983979 0.74 AURKA (0.34) AURKAEGFRAURKBCHEK1
SCHEMBL14463686 0.74 AURKA (0.36) AURKAEGFRAURKBCHEK1
SCHEMBL14021437 0.73 AURKA (0.55) AURKAEGFRAURKBCHEK1
SCHEMBL14021557 0.73 AURKA (0.55) AURKAEGFRAURKBCHEK1

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-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed