SCHEMBL4282720

SCHEMBL4282720

CC(C)COC(=O)N1CCC(Oc2cc(C(=O)O)n(C)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.45
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CD O00329 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CACNB4 O00305 2/20 0.37
CACNA1A O00555 2/20 0.37
CACNA1G O43497 2/20 0.37
CACNG3 O60359 2/20 0.37
CACNA1F O60840 2/20 0.37
CACNA1H O95180 2/20 0.37
CACNB3 P54284 2/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNG7 P62955 2/20 0.37
CACNA1B Q00975 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNB1 Q02641 2/20 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
SCHEMBL4284695 0.89 GPR119 (0.44) GPR119PIK3CDTLR9TLR8TLR7
SCHEMBL1853083 0.81 GPR119 (0.52) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL27415464 0.79 KDM4E (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL19460883 0.77 GPR119 (0.51) GPR119TLR9TLR8TLR7LNPEP
SCHEMBL4552480 0.76 KDM4E (0.44) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL1850724 0.72 GPR119 (0.52) GPR119MEN1HPGDKMT2ACACNB4
SCHEMBL4308215 0.72 GPR119 (0.46) GPR119MEN1KMT2APIK3CDTLR9
SCHEMBL9987440 0.71 GPR119 (0.45) GPR119PIK3CD
SCHEMBL26926850 0.70 CACNB4 (0.51) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3657261 0.70 RAB9A (0.48) GPR119MEN1HPGDKMT2ATLR9

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