SCHEMBL4552596

SCHEMBL4552596

CC(C)COC(=O)N1CCCC(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
CASP6 P55212 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4277770 0.92 KMT2A (0.47) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL4282044 0.90 NPC1 (0.48) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL1851938 0.86 TSHR (0.51) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL4280778 0.83 KMT2A (0.45) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL4277803 0.80 TSHR (0.50) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL1850058 0.77 ALDH1A1 (0.48) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL1851581 0.76 NPC1 (0.51) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL4277173 0.76 KMT2A (0.41) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL4282729 0.76 KMT2A (0.41) TSHRALDH1A1KDM4EKMT2AMAPT
SCHEMBL4277433 0.75 KMT2A (0.39) TSHRALDH1A1KDM4EKMT2AMAPT

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