SCHEMBL2830236

SCHEMBL2830236

Cc1nc(OC(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.71
NOTUM Q6P988 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NAMPT P43490 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
SGMS2 Q8NHU3 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
SCHEMBL2826336 0.89 GRM5 (0.70) GRM5
SCHEMBL2832204 0.87 GRM5 (0.56) GRM5JAK2
SCHEMBL2832138 0.86 GRM5 (0.56) GRM5KDM4EJAK2
SCHEMBL2832964 0.86 GRM5 (0.52) GRM5NOTUMJAK2
SCHEMBL2829041 0.85 GRM5 (0.54) GRM5PIK3CA
SCHEMBL2830193 0.85 GRM5 (0.51) GRM5JAK2
SCHEMBL2829440 0.85 GRM5 (0.51) GRM5
SCHEMBL2830123 0.85 GRM5 (0.51) GRM5JAK2
SCHEMBL2826585 0.84 GRM5 (0.52) GRM5PIK3CAPIK3CGNAMPTJAK2
SCHEMBL2829034 0.83 GRM5 (0.71) GRM5CDK5CDK5R1PIK3CAPIK3CG

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