SCHEMBL10145839

SCHEMBL10145839

Cn1c(=O)n(CC2CCOCC2)c2ccc(-c3cc(Oc4ccnc(N)c4)ccc3N)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.44
PRKDC P78527 3/20 0.44
MTOR P42345 2/20 0.37
PARG Q86W56 5/20 0.36
GRM2 Q14416 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
AXL P30530 2/20 0.33
MERTK Q12866 2/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL10145836 0.82 GRM2 (0.39) GRM2AXL
SCHEMBL10146007 0.82 GRM2 (0.43) PIK3CAPARGGRM2GRIN1GRIN2B
SCHEMBL10145837 0.82 PARG (0.42) PARGGRM2AXL
SCHEMBL10146391 0.82 TRIM24 (0.40) PARGGRM2GRIN1GRIN2BAXL
SCHEMBL10146006 0.82 PARG (0.40) PIK3CAPRKDCPARGGRM2GRIN1
SCHEMBL626150 0.81 PIK3CA (0.41) PIK3CAPRKDCMTORGRM2
SCHEMBL10146625 0.79 GRM2 (0.36) GRM2AXL
SCHEMBL10146620 0.75 POLB (0.35) PARGGRIN1GRIN2BAXL
SCHEMBL627819 0.75 GRM2 (0.44) PIK3CAPARGGRM2GRIN1GRIN2B
SCHEMBL14992645 0.73 GRM2 (0.44) PARGGRM2GRIN1GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed