SCHEMBL2829117

SCHEMBL2829117

Cc1nccc(NC(=O)Oc2nc(C)sc2Nc2cncc(C#N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.38
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
SORT1 Q99523 3/20 0.33
PIK3CG P48736 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
RAF1 P04049 1/20 0.32

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
SCHEMBL2826867 0.88 CDK4 (0.45) GRM5CDK4CDK2NPC1RAB9A
SCHEMBL2828101 0.86 GRM5 (0.48) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL2829312 0.86 GRM5 (0.52) GRM5PIK3CGCDK4CDK2NPC1
SCHEMBL2830286 0.86 GRM5 (0.40) GRM5PIK3CGCDK4CDK2NPC1
SCHEMBL2829847 0.85 GRM5 (0.52) GRM5KCNH2
SCHEMBL2830257 0.85 GRM5 (0.50) GRM5SORT1
SCHEMBL2830057 0.84 GRM5 (0.38) GRM5SORT1
SCHEMBL2826585 0.83 GRM5 (0.52) GRM5JAK2JAK3PIK3CG
SCHEMBL2825999 0.80 LMNA (0.41) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL2833176 0.80 SORT1 (0.41) GRM5JAK2JAK1SORT1NPC1

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