SCHEMBL2829034

SCHEMBL2829034

Cc1nc(OC(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.71
HSD17B10 Q99714 1/20 0.40
PIK3CG P48736 2/20 0.39
PIK3CA P42336 2/20 0.39
NAMPT P43490 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
SIGLEC9 Q9Y336 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL2828771 0.89 GRM5 (0.55) GRM5HSD17B10
SCHEMBL2824785 0.86 GRM5 (0.70) GRM5JAK2JAK3
SCHEMBL2826008 0.85 GRM5 (0.57) GRM5PIK3CGPIK3CAMAPTKDM4E
SCHEMBL2826585 0.85 GRM5 (0.52) GRM5PIK3CGPIK3CANAMPTMAPT
SCHEMBL2826273 0.84 GRM5 (0.56) GRM5HSD17B10PIK3CGPIK3CANAMPT
SCHEMBL2827389 0.84 GRM5 (0.51) GRM5PIK3CGPIK3CANAMPTMAPT
SCHEMBL2830236 0.83 GRM5 (0.71) GRM5PIK3CGPIK3CANAMPTKDM4E
SCHEMBL2830049 0.82 GRM5 (0.60) GRM5PIK3CGPIK3CANAMPTMAPT
SCHEMBL2827024 0.82 GRM5 (0.49) GRM5PIK3CGPIK3CANAMPTMAPT
SCHEMBL2827684 0.82 GRM5 (0.48) GRM5PIK3CGPIK3CANAMPTJAK2

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
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed