SCHEMBL4273456

SCHEMBL4273456

CC(C)COC(=O)Nc1ccc(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 4/20 0.52
HSD17B10 Q99714 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 4/20 0.48
MAPK10 P53779 3/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
AHR P35869 1/20 0.44
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCL2 P10415 1/20 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
SCHEMBL4552452 0.90 TSHR (0.52) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL1852128 0.84 HPGD (0.55) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4272521 0.83 HPGD (0.50) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL1851896 0.75 KMT2A (0.52) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4277770 0.75 KMT2A (0.47) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4125534 0.74 HPGD (0.55) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL1852416 0.74 HPGD (0.58) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4282044 0.73 NPC1 (0.48) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL4280778 0.73 KMT2A (0.45) HPGDALDH1A1KMT2ATSHRHSD17B10
SCHEMBL1857370 0.73 KMT2A (0.54) HPGDALDH1A1KMT2ATSHRHSD17B10

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