SCHEMBL370415

SCHEMBL370415

Cc1cccc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)c1.Cc1sc(Nc2ncc(F)cc2F)nc1-c1cn[nH]c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.56
GRM8 O00222 1/20 0.52
KDR P35968 2/20 0.38
MEN1 O00255 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 4/20 0.36
CASP3 P42574 3/20 0.36
SENP8 Q96LD8 3/20 0.36
SENP7 Q9BQF6 3/20 0.36
SENP6 Q9GZR1 3/20 0.36
GRM5 P41594 3/20 0.36
KARS1 Q15046 4/20 0.35
KCNH2 Q12809 1/20 0.35
ATM Q13315 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL370358 0.83 GRM4 (0.56) GRM4GRM8MEN1RAB9AKMT2A
SCHEMBL370727 0.82 GRM4 (0.73) GRM4GRM8KDRMEN1NPC1
SCHEMBL369427 0.80 GRM4 (0.72) GRM4GRM8KDRMEN1NPC1
SCHEMBL369761 0.79 GRM4 (0.70) GRM4GRM8KDRMEN1NPC1
SCHEMBL369009 0.75 GRM4 (0.67) GRM4GRM8KDRMEN1NPC1
SCHEMBL15166648 0.74 GRM4 (0.63) GRM4GRM8MEN1RAB9AKMT2A
SCHEMBL370597 0.74 GRM4 (0.57) GRM4GRM8KDRMEN1NPC1
SCHEMBL369775 0.74 GRM4 (0.69) GRM4GRM8KDRMEN1RAB9A
SCHEMBL369152 0.73 GRM4 (1.00) GRM4GRM8KDRMEN1NPC1
SCHEMBL369922 0.73 GRM4 (0.67) GRM4GRM8KDRMEN1KMT2A

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