SCHEMBL2827399

SCHEMBL2827399

COCc1nc(OC(=O)Nc2cccc(C)n2)c(Nc2cccnc2)s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.55
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
GBA1 P04062 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 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
SCHEMBL2827039 0.91 GRM5 (0.56) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL2829704 0.91 GRM5 (0.57) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL2826351 0.89 GRM5 (0.55) GRM5
SCHEMBL2824785 0.87 GRM5 (0.70) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL2829770 0.83 GRM5 (0.57) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL2825873 0.82 GRM5 (0.55) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL2825843 0.81 GRM5 (0.58) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL2830083 0.80 GRM5 (0.54) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL2826008 0.80 GRM5 (0.57) GRM5MEN1KMT2AJAK2JAK3
SCHEMBL2826273 0.77 GRM5 (0.56) GRM5NPC1RAB9AJAK2JAK3

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