SCHEMBL4277433

SCHEMBL4277433

CC(C)COC(=O)N1CCC(Oc2cc(C(=O)Nc3c(C(N)=O)oc4ccc(Br)cc34)n(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GPR119 Q8TDV5 6/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
ESR1 P03372 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
MCHR1 Q99705 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
SCHEMBL1848686 0.88 BACE1 (0.40) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL4282729 0.86 KMT2A (0.41) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL4282044 0.81 NPC1 (0.48) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL4277820 0.78 KMT2A (0.40) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL4277770 0.76 KMT2A (0.47) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL4552596 0.75 TSHR (0.46) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL4280778 0.75 KMT2A (0.45) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL1852252 0.74 BACE1 (0.45) KMT2AMAPTALDH1A1MEN1GPR119
SCHEMBL4282720 0.73 GPR119 (0.45) KMT2AMEN1GPR119RAB9AHPGD
SCHEMBL4284695 0.73 GPR119 (0.44) ALDH1A1SMN1; SMN2GPR119TSHRRAB9A

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