SCHEMBL5200413

SCHEMBL5200413

Cc1nc(C(=O)Nc2cccc(CF)n2)c(Nc2cccnc2)s1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.84
NAMPT P43490 4/20 0.43
LCK P06239 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 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
SCHEMBL2825932 0.88 GRM5 (0.79) GRM5NAMPT
SCHEMBL2846654 0.87 GRM5 (1.00) GRM5NAMPT
SCHEMBL2846652 0.85 GRM5 (0.81) GRM5NAMPTLCKJAK2JAK3
SCHEMBL2830049 0.84 GRM5 (0.60) GRM5NAMPTJAK2JAK3
SCHEMBL2827469 0.79 GRM5 (0.77) GRM5NAMPT
SCHEMBL5199705 0.78 GRM5 (0.70) GRM5NAMPT
SCHEMBL2827669 0.78 GRM5 (0.65) GRM5
SCHEMBL2825984 0.78 GRM5 (0.69) GRM5NAMPT
SCHEMBL2829293 0.77 GRM5 (0.74) GRM5NAMPT
SCHEMBL2826680 0.76 GRM5 (0.66) GRM5NAMPTJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed