SCHEMBL4282044

SCHEMBL4282044

CC(C)COC(=O)N1CCC(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.38
CASP6 P55212 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
SCHEMBL4277770 0.91 KMT2A (0.47) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL4552596 0.90 TSHR (0.46) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL4280778 0.86 KMT2A (0.45) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL1851581 0.86 NPC1 (0.51) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL4282729 0.82 KMT2A (0.41) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL4277433 0.81 KMT2A (0.39) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL4277750 0.80 ALDH1A1 (0.51) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL4277820 0.78 KMT2A (0.40) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL1850058 0.78 ALDH1A1 (0.48) NPC1RAB9AKMT2AMAPTTSHR
SCHEMBL4277173 0.77 KMT2A (0.41) NPC1RAB9AKMT2AMAPTTSHR

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