SCHEMBL370130

SCHEMBL370130

Cc1ccnc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)Cc1n[nH]cc1-c1csc(Nc2ccccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.58
KCNH2 Q12809 1/20 0.58
NPC1 O15118 15/20 0.43
RAB9A P51151 14/20 0.43
MEN1 O00255 11/20 0.43
KMT2A Q03164 11/20 0.43
GRM8 O00222 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL12482359 0.90 GRM4 (0.47) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL2512028 0.84 GRM4 (0.54) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL367343 0.78 GRM4 (0.64) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL369610 0.77 GRM4 (0.56) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL370539 0.76 GRM4 (0.58) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL366994 0.76 GRM4 (1.00) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL31060271 0.76 GRM4 (1.00) GRM4KCNH2NPC1RAB9AMEN1
SCHEMBL2538671 0.74 NPC1 (0.44) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL2534001 0.73 MEN1 (0.42) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL370036 0.72 RAB9A (0.52) GRM4KCNH2NPC1RAB9AMEN1

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 4 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
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 disclosed
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 disclosed