SCHEMBL370311

SCHEMBL370311

Cc1sc(Nc2cccc(C(F)F)n2)nc1-c1cn[nH]c1.Cc1sc(Nc2cccc(CF)n2)nc1-c1cn[nH]c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 12/20 0.57
GRM8 O00222 1/20 0.47
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
KCNH2 Q12809 1/20 0.33
PDE4B Q07343 2/20 0.33
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.31
XIAP P98170 1/20 0.30

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
SCHEMBL370274 0.92 GRM4 (0.65) GRM4GRM8ALDH1A1GAAMAPT
SCHEMBL370650 0.92 GRM4 (0.65) GRM4GRM8ALDH1A1GAAMAPT
SCHEMBL370490 0.83 GRM4 (0.67) GRM4GRM8ALDH1A1GAAMAPT
SCHEMBL369775 0.78 GRM4 (0.69) GRM4GRM8ALDH1A1GAAMAPT
SCHEMBL369427 0.78 GRM4 (0.72) GRM4GRM8ALDH1A1MAPTRAB9A
SCHEMBL370275 0.76 GRM4 (0.73) GRM4GRM8ALDH1A1MAPTATP4A
SCHEMBL365856 0.76 GRM4 (0.69) GRM4GRM8ALDH1A1KCNH2PDE4B
SCHEMBL369134 0.75 GRM4 (0.68) GRM4GRM8KCNH2PDE4BKDR
SCHEMBL367907 0.74 GRM4 (0.65) GRM4GRM8ALDH1A1GAAMAPT
SCHEMBL369152 0.73 GRM4 (1.00) GRM4GRM8ALDH1A1MAPTRAB9A

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-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP claimed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO claimed