SCHEMBL4277173

SCHEMBL4277173

CC(C)COC(=O)N1CC(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)C1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.33
BACE1 P56817 1/20 0.33
ESR1 P03372 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1851200 0.91 KMT2A (0.43) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4280778 0.80 KMT2A (0.45) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4277770 0.80 KMT2A (0.47) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1849605 0.77 ALDH1A1 (0.47) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4282044 0.77 NPC1 (0.48) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4552596 0.76 TSHR (0.46) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1850058 0.76 ALDH1A1 (0.48) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1854752 0.74 USP30 (0.47) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1851649 0.74 USP30 (0.47) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1850429 0.74 KMT2A (0.42) KMT2AMAPTALDH1A1SMN1; SMN2MEN1

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