SCHEMBL5260848

SCHEMBL5260848

CNc1nccc(-c2cccnc2Oc2cc(NC(=O)c3cccc(Cl)c3Cl)ccc2C)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.68
TEK Q02763 10/20 0.68
AURKB Q96GD4 11/20 0.65
AURKA O14965 7/20 0.65
TPX2 Q9ULW0 7/20 0.65
YES1 P07947 1/20 0.63
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58
CSF1R P07333 1/20 0.58
KIT P10721 1/20 0.58
SRC P12931 1/20 0.58
MAPK14 Q16539 1/20 0.58

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
SCHEMBL5258252 0.88 AURKB (0.64) KDRTEKAURKBAURKATPX2
SCHEMBL1265147 0.86 AURKB (0.79) KDRTEKAURKBAURKATPX2
SCHEMBL5263118 0.85 TEK (0.61) KDRTEKAURKBAURKATPX2
SCHEMBL1264715 0.85 AURKB (0.76) KDRTEKAURKBAURKATPX2
SCHEMBL1264217 0.85 KDR (0.72) KDRTEKAURKBAURKATPX2
SCHEMBL1264555 0.83 KDR (0.63) KDRTEKAURKBAURKATPX2
SCHEMBL15841772 0.82 AURKB (0.77) KDRTEKAURKBAURKATPX2
SCHEMBL1265319 0.82 TEK (0.55) KDRTEKAURKBAURKATPX2
SCHEMBL1264223 0.81 KDR (1.00) KDRTEKAURKBAURKATPX2
SCHEMBL1265621 0.81 KDR (0.62) KDRTEKAURKBAURKATPX2

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-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP claimed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO claimed