SCHEMBL2826997

SCHEMBL2826997

Cc1cc(NC(=O)Oc2nc(C)sc2NCc2cncn2C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
MAPK1 P28482 2/20 0.42
PORCN Q9H237 3/20 0.36
SYK P43405 2/20 0.36
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 2/20 0.36
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
GPR142 Q7Z601 2/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
SORT1 Q99523 1/20 0.31

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
SCHEMBL2829460 0.82 GRM5 (0.53) GRM5PORCN
SCHEMBL2827141 0.78 GRM5 (0.47) GRM5MAPK1PORCNSMARCA2SMARCA4
SCHEMBL2833093 0.77 GRM5 (0.69) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2830138 0.76 GRM5 (0.49) GRM5PORCNSMARCA2SMARCA4IKBKE
SCHEMBL2833088 0.76 GRM5 (0.56) GRM5MAPK1PORCNSMARCA2SMARCA4
SCHEMBL2826714 0.76 GRM5 (0.70) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2828525 0.75 GRM5 (0.47) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2826446 0.75 GRM5 (0.46) GRM5MAPK1PORCNSMARCA2SMARCA4
SCHEMBL2830413 0.75 GRM5 (0.51) GRM5PORCNSMARCA2SMARCA4GSK3B
SCHEMBL2832198 0.75 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4DYRK1A

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