SCHEMBL2828432

SCHEMBL2828432

O=C(Nc1cccc(C(F)(F)F)n1)Oc1ncsc1Nc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.42
DYRK1A Q13627 1/20 0.42
NAMPT P43490 2/20 0.38
MPL P40238 2/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
SRPK1 Q96SB4 2/20 0.37
ACVR1 Q04771 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
CSF1R P07333 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
AKT1 P31749 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
FRK P42685 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL2829501 0.86 GRM5 (0.45) GRM5NAMPTNOTUM
SCHEMBL2828918 0.85 GRM5 (0.44) GRM5NAMPT
SCHEMBL2825843 0.85 GRM5 (0.58) GRM5NAMPT
SCHEMBL2832364 0.83 GRM5 (0.55) GRM5NAMPT
SCHEMBL2829262 0.79 GRM5 (0.44) GRM5NAMPT
SCHEMBL2829497 0.77 LMNA (0.49) GRM5GSK3AGSK3BCSF1RCDK5
SCHEMBL2831112 0.77 IRAK4 (0.46) GRM5NAMPTCSF1R
SCHEMBL2824997 0.75 GRM5 (0.48) GRM5NAMPT
SCHEMBL2827177 0.74 ALDH1A1 (0.46) GRM5CDK2
SCHEMBL2830797 0.73 RAB9A (0.51) GRM5

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