SCHEMBL2830253

SCHEMBL2830253

Cc1cccc(NC(=O)Oc2nc(C)sc2Nc2cnccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.51
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL2826591 0.89 GRM5 (0.46) GRM5RAB9AKMT2ANPC1JAK2
SCHEMBL2824785 0.86 GRM5 (0.70) GRM5RAB9AKMT2ANPC1JAK2
SCHEMBL2826109 0.85 GRM5 (0.47) GRM5RAB9AKMT2ANPC1
SCHEMBL2826581 0.85 GRM5 (0.50) GRM5RAB9AKMT2ANPC1JAK2
SCHEMBL2830506 0.83 GRM5 (0.48) GRM5RAB9AKMT2ANPC1JAK2
SCHEMBL2829267 0.83 GRM5 (0.55) GRM5RAB9AKMT2ANPC1
SCHEMBL2832964 0.83 GRM5 (0.52) GRM5KMT2AJAK2
SCHEMBL2827599 0.82 GRM5 (0.46) GRM5RAB9AKMT2ANPC1
SCHEMBL2827277 0.80 JAK2 (0.44) GRM5RAB9AKMT2ANPC1JAK2
SCHEMBL2828101 0.77 GRM5 (0.48) GRM5RAB9ANPC1

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