SCHEMBL2831342

SCHEMBL2831342

COc1cncc(Nc2sc(C)nc2OC(=O)Nc2ccnc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.53
PORCN Q9H237 2/20 0.40
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
GSK3A P49840 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
BRAF P15056 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL2833088 0.89 GRM5 (0.56) GRM5PORCNSMARCA2SMARCA4MAPT
SCHEMBL2826318 0.88 GRM5 (0.54) GRM5PORCNSMARCA2SMARCA4NPC1
SCHEMBL2831334 0.88 GRM5 (0.54) GRM5PORCNSMARCA2SMARCA4NPC1
SCHEMBL2833093 0.87 GRM5 (0.69) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2827034 0.86 GRM5 (0.51) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2832198 0.86 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2826714 0.85 GRM5 (0.70) GRM5PORCNSMARCA2SMARCA4MAPT
SCHEMBL2833058 0.85 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4ALDH1A1
SCHEMBL2828392 0.85 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4MAPT
SCHEMBL2828969 0.85 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4

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