SCHEMBL2829210

SCHEMBL2829210

Cc1ccnc(NC(=O)Oc2nc(C)sc2Nc2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.54
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PORCN Q9H237 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 4/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
NAMPT P43490 2/20 0.39
BCR P11274 2/20 0.38
SRC P12931 2/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38

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
SCHEMBL2826714 0.86 GRM5 (0.70) GRM5JAK2JAK3PORCNABL1
SCHEMBL2824785 0.85 GRM5 (0.70) GRM5NPC1RAB9AJAK2JAK3
SCHEMBL2826585 0.84 GRM5 (0.52) GRM5JAK2JAK3PORCNKMT2A
SCHEMBL2827196 0.83 GRM5 (0.58) GRM5NPC1JAK2JAK3PORCN
SCHEMBL2830286 0.83 GRM5 (0.40) GRM5NPC1RAB9APOLBKMT2A
SCHEMBL2827578 0.82 GRM5 (0.50) GRM5NPC1RAB9APOLBSMN1; SMN2
SCHEMBL2828125 0.82 GRM5 (0.50) GRM5SMN1; SMN2ABL1PIK3CAPIK3CG
SCHEMBL2827009 0.82 GRM5 (0.53) GRM5NPC1RAB9AJAK2JAK3
SCHEMBL2827024 0.81 GRM5 (0.49) GRM5NPC1RAB9AJAK2JAK3
SCHEMBL2827389 0.81 GRM5 (0.51) GRM5JAK2JAK3SMN1; SMN2PIK3CA

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