SCHEMBL2827196

SCHEMBL2827196

Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2cccnc2)s1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.58
SMARCA2 P51531 4/20 0.41
SMARCA4 P51532 4/20 0.41
PORCN Q9H237 1/20 0.41
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP11B2 P19099 1/20 0.40
LCK P06239 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ABL1 P00519 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 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 0.91 GRM5 (0.70) GRM5SMARCA2SMARCA4PORCNJAK2
SCHEMBL2831187 0.90 GRM5 (0.57) GRM5SMARCA2SMARCA4NPC1
SCHEMBL2828939 0.90 SMARCA2 (0.48) GRM5SMARCA2SMARCA4PORCNNPC1
SCHEMBL2826781 0.89 GRM5 (0.52) GRM5NPC1MEN1KMT2ACYP11B2
SCHEMBL2826560 0.88 GRM5 (0.46) GRM5SMARCA2SMARCA4NPC1PIK3CA
SCHEMBL2827009 0.87 GRM5 (0.53) GRM5NPC1KMT2AJAK2JAK3
SCHEMBL2829033 0.87 GRM5 (0.44) GRM5SMARCA2SMARCA4
SCHEMBL2827277 0.86 JAK2 (0.44) GRM5SMARCA2SMARCA4NPC1MEN1
SCHEMBL2826248 0.86 SMARCA2 (0.56) GRM5SMARCA2SMARCA4PORCNNPC1
SCHEMBL2828233 0.85 SMARCA2 (0.42) GRM5SMARCA2SMARCA4PORCNNPC1

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