SCHEMBL4552452

SCHEMBL4552452

CC(C)COC(=O)Nc1cccc(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
HPGD P15428 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
HSD17B10 Q99714 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK10 P53779 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 7/20 0.46
TP53 P04637 4/20 0.42
LMNA P02545 3/20 0.42
ALOX15 P16050 2/20 0.42
NR1H4 Q96RI1 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
AHR P35869 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4273456 0.90 HPGD (0.52) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL4272521 0.87 HPGD (0.50) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL4125534 0.85 HPGD (0.55) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL1853596 0.75 HPGD (0.52) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL1852128 0.74 HPGD (0.55) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL1850906 0.73 HPGD (0.58) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL13699719 0.73 MAPT (0.60) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL7091790 0.73 LMNA (0.58) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL4277770 0.73 KMT2A (0.47) TSHRHPGDALDH1A1KMT2AHSD17B10
SCHEMBL4280778 0.71 KMT2A (0.45) TSHRHPGDALDH1A1KMT2AHSD17B10

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-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed