SCHEMBL4420985

SCHEMBL4420985

CC(C)(C)C1c2ccc(C(=O)Nc3c(C(N)=O)oc4ccc(Br)cc34)cc2CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
KMT2A Q03164 5/20 0.44
TSHR P16473 4/20 0.44
MEN1 O00255 4/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 4/20 0.41
MAPK10 P53779 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.37
AHR P35869 1/20 0.37
NPC1 O15118 3/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MCHR1 Q99705 1/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL4420989 0.85 ALDH1A1 (0.43) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL4431903 0.85 ALDH1A1 (0.42) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL1853608 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL1852060 0.76 ESR2 (0.49) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL2123936 0.75 CAMK2A (0.43) KMT2AMEN1
SCHEMBL31546529 0.75 CAMK2A (0.43) KMT2AMEN1
SCHEMBL1852416 0.73 HPGD (0.58) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL1851939 0.72 KMT2A (0.42) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL1850906 0.72 HPGD (0.58) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL1852418 0.72 HPGD (0.53) ALDH1A1HPGDKMT2ATSHRMEN1

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