SCHEMBL2827684

SCHEMBL2827684

Cc1nc(OC(=O)Nc2ccn(C)n2)c(Nc2cccnc2)s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.48
NAMPT P43490 5/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CG P48736 2/20 0.36
PIK3CA P42336 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NOTUM Q6P988 1/20 0.36
SIGLEC9 Q9Y336 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
SCHEMBL2827806 0.89 GRM5 (0.44) GRM5NPC1RAB9ANOTUM
SCHEMBL2826935 0.87 GRM5 (0.46) GRM5NAMPTTSHR
SCHEMBL2826482 0.85 NPC1 (0.40) GRM5NPC1RAB9A
SCHEMBL2830071 0.85 GRM5 (0.39) GRM5JAK2PIK3CANPC1RAB9A
SCHEMBL2826273 0.83 GRM5 (0.56) GRM5NAMPTJAK2JAK3PIK3CG
SCHEMBL5199705 0.83 GRM5 (0.70) GRM5NAMPTTSHRNPC1RAB9A
SCHEMBL2824785 0.83 GRM5 (0.70) GRM5JAK2JAK3NPC1RAB9A
SCHEMBL2827389 0.83 GRM5 (0.51) GRM5NAMPTJAK2JAK3PIK3CG
SCHEMBL2826008 0.82 GRM5 (0.57) GRM5JAK2JAK3PIK3CGPIK3CA
SCHEMBL2831219 0.82 NPC1 (0.37) GRM5NPC1RAB9ANOTUM

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