SCHEMBL4420989

SCHEMBL4420989

CC(C)CC1c2ccc(C(=O)Nc3c(C(N)=O)oc4ccc(Br)cc34)cc2CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 4/20 0.43
MEN1 O00255 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 4/20 0.41
MAPK10 P53779 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
AHR P35869 1/20 0.35
NPC1 O15118 1/20 0.35
MCHR1 Q99705 1/20 0.34
ESR1 P03372 1/20 0.34
ABL1 P00519 1/20 0.33

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
SCHEMBL4431909 0.85 KMT2A (0.41) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL4420985 0.85 ALDH1A1 (0.45) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL2123940 0.77 MTNR1B (0.47) KMT2AMEN1NPSR1LMNA
SCHEMBL4431903 0.72 ALDH1A1 (0.42) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL1852060 0.71 ESR2 (0.49) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL2123219 0.71 MTNR1B (0.43) TP53
SCHEMBL1853608 0.71 ALDH1A1 (0.49) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL3666731 0.70 KDM1A (0.41)
SCHEMBL4128711 0.70 ALDH1A1 (0.46) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL4032581 0.69 MTNR1B (0.48) ESR1

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