SCHEMBL4552480

SCHEMBL4552480

Cn1nc(OC2CCN(C(C)(C)C)CC2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
HRH3 Q9Y5N1 3/20 0.37
CACNB4 O00305 5/20 0.35
CACNA1A O00555 5/20 0.35
CACNA1G O43497 5/20 0.35
CACNG3 O60359 5/20 0.35
CACNA1F O60840 5/20 0.35
CACNA1H O95180 5/20 0.35
CACNB3 P54284 5/20 0.35
CACNA2D1 P54289 5/20 0.35
CACNG7 P62955 5/20 0.35
CACNA1B Q00975 5/20 0.35
CACNA1D Q01668 5/20 0.35
CACNB1 Q02641 5/20 0.35
CACNG1 Q06432 5/20 0.35
CACNB2 Q08289 5/20 0.35
CACNA1S Q13698 5/20 0.35
CACNA1C Q13936 5/20 0.35

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
SCHEMBL27415464 0.86 KDM4E (0.46) KDM4EGRNSORT1HRH3CACNB4
SCHEMBL1853083 0.83 GPR119 (0.52) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL21004595 0.80 FPR2 (0.37) HRH3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4282720 0.76 GPR119 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL21604151 0.72 CCNE1 (0.39) KDM4ECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL26926850 0.72 CACNB4 (0.51) KDM4ECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL1850724 0.69 GPR119 (0.52) KDM4ECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2516746 0.69 KDM4E (0.53) KDM4EGRNSORT1GSK3BCCNE1
SCHEMBL21604042 0.69 GRN (0.54) KDM4EGRNSORT1
SCHEMBL21597708 0.69 KDM4E (0.43) KDM4EGRNSORT1

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