SCHEMBL3401188

SCHEMBL3401188

Cc1c(C(=O)Nc2cccc(Cl)n2)nnn1-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.59
GRM5 P41594 8/20 0.57
PTGS2 P35354 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
SMURF1 Q9HCE7 1/20 0.50
MAPT P10636 1/20 0.50
CCR1 P32246 1/20 0.48
GSK3B P49841 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL3402289 0.89 GRM5 (0.67) TP53GRM5PTGS2SMN1; SMN2SMURF1
SCHEMBL3405207 0.89 GRM5 (0.67) TP53GRM5PTGS2SMN1; SMN2MAPT
SCHEMBL8000300 0.85 GRM5 (0.69) TP53GRM5PTGS2SMN1; SMN2SMURF1
SCHEMBL3433965 0.81 TP53 (0.55) TP53GRM5PTGS2SMN1; SMN2SMURF1
SCHEMBL3398194 0.81 TP53 (0.55) TP53GRM5PTGS2SMN1; SMN2SMURF1
SCHEMBL3402699 0.81 TP53 (0.57) TP53GRM5PTGS2SMN1; SMN2SMURF1
SCHEMBL3407265 0.80 MAPT (0.65) TP53PTGS2SMN1; SMN2SMURF1MAPT
SCHEMBL30387819 0.79 GRM5 (0.58) TP53GRM5SMN1; SMN2MAPTGSK3B
SCHEMBL20604169 0.79 GRM5 (0.58) TP53GRM5SMN1; SMN2MAPTGSK3B
SCHEMBL7987917 0.79 TP53 (0.57) TP53GRM5PTGS2SMN1; SMN2SMURF1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 EP claimed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO claimed
EP-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 EP disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed