SCHEMBL4656126

SCHEMBL4656126

CNc1nccc(-c2cccnc2Oc2ccc(N=C(N)NOC(=O)N(C(C)(C)C)C(C)(C)C)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.49
AURKA O14965 10/20 0.49
TPX2 Q9ULW0 7/20 0.49
TEK Q02763 10/20 0.47
KDR P35968 8/20 0.47
LCK P06239 4/20 0.47
YES1 P07947 1/20 0.41
ABL1 P00519 1/20 0.41
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL973141 0.84 AURKB (0.57) AURKBAURKATPX2TEKKDR
SCHEMBL973140 0.79 AURKB (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL1265702 0.77 AURKB (0.68) AURKBAURKATPX2TEKKDR
SCHEMBL5263953 0.75 AURKB (0.59) AURKBAURKATPX2TEKKDR
SCHEMBL580385 0.75 TEK (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL581511 0.75 TEK (0.60) AURKBAURKATPX2TEKKDR
SCHEMBL1265359 0.74 AURKB (0.51) AURKBAURKATPX2TEKKDR
SCHEMBL974857 0.74 AURKB (0.64) AURKBAURKATPX2TEKKDR
SCHEMBL975890 0.73 AURKB (0.57) AURKBAURKATPX2TEKKDR
SCHEMBL975891 0.73 AURKB (0.57) AURKBAURKATPX2TEKKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO disclosed