SCHEMBL3401246

SCHEMBL3401246

Cc1nccc(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.56
POLB P06746 2/20 0.54
TP53 P04637 3/20 0.51
MAPT P10636 2/20 0.51
GRM5 P41594 2/20 0.51
ALDH1A1 P00352 1/20 0.50
SMURF1 Q9HCE7 1/20 0.49
SORT1 Q99523 1/20 0.47
RIPK1 Q13546 1/20 0.46
PTGS2 P35354 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3402699 0.85 TP53 (0.57) METTP53MAPTGRM5SMURF1
SCHEMBL7995426 0.84 RIPK1 (0.50) METTP53MAPTGRM5SORT1
SCHEMBL3402413 0.84 TP53 (0.50) METTP53MAPTGRM5SMURF1
SCHEMBL3404285 0.83 MET (0.63) METPOLBTP53MAPTGRM5
SCHEMBL3401287 0.83 MET (0.63) METPOLBTP53MAPTGRM5
SCHEMBL3407140 0.78 MAPT (0.60) METPOLBTP53MAPTGRM5
SCHEMBL3400866 0.78 MAPT (0.58) METPOLBTP53MAPTGRM5
SCHEMBL3433965 0.73 TP53 (0.55) METTP53MAPTGRM5SMURF1
SCHEMBL3404139 0.73 MET (0.61) METTP53MAPTGRM5SMN1; SMN2
SCHEMBL3406655 0.72 POLB (0.62) METPOLBTP53MAPTALDH1A1

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