SCHEMBL4431909

SCHEMBL4431909

CC(C)CC1c2cccc(C(=O)Nc3c(C(N)=O)oc4ccc(Br)cc34)c2CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 1/20 0.36
RAB9A P51151 3/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 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
SCHEMBL4420989 0.85 ALDH1A1 (0.43) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL4431903 0.85 ALDH1A1 (0.42) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL4420985 0.72 ALDH1A1 (0.45) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL2126330 0.71 ABCB1 (0.39) MAPTKDM4ERAB9ANPC1
SCHEMBL1855922 0.71 RAB9A (0.43) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL2122064 0.70 ABCB1 (0.43) MAPTKDM4ERAB9ANPC1
SCHEMBL4128711 0.69 ALDH1A1 (0.46) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL2123940 0.68 MTNR1B (0.47) KMT2AMEN1NPSR1LMNA
SCHEMBL4115321 0.68 ALDH1A1 (0.46) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL1850908 0.68 ALDH1A1 (0.49) KMT2AMAPTALDH1A1HPGDMEN1

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