SCHEMBL4282729

SCHEMBL4282729

CC(C)COC(=O)N1CCC(Oc2cc(C(=O)Nc3c(C(N)=O)oc4ccc(Br)cc34)on2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GPR119 Q8TDV5 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
BACE1 P56817 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MCHR1 Q99705 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
LMNA P02545 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
SCHEMBL1852252 0.88 BACE1 (0.45) KMT2AMAPTRAB9ANPC1GPR119
SCHEMBL4277433 0.86 KMT2A (0.39) KMT2AMAPTRAB9ANPC1GPR119
SCHEMBL4277760 0.84 KMT2A (0.42) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL4282044 0.82 NPC1 (0.48) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL4277770 0.77 KMT2A (0.47) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL4552596 0.76 TSHR (0.46) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL4277820 0.75 KMT2A (0.40) KMT2AMAPTRAB9ANPC1GPR119
SCHEMBL4280778 0.75 KMT2A (0.45) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL1848686 0.74 BACE1 (0.40) KMT2AMAPTRAB9ANPC1GPR119
SCHEMBL4273456 0.70 HPGD (0.52) 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