SCHEMBL3402699

SCHEMBL3402699

Cc1nccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
PTGS2 P35354 4/20 0.56
GRM5 P41594 6/20 0.53
MET P08581 3/20 0.52
RIPK1 Q13546 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
GSK3B P49841 1/20 0.44
WNT3A P56704 1/20 0.44
SMURF1 Q9HCE7 1/20 0.44

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
SCHEMBL7995426 0.90 RIPK1 (0.50) TP53PTGS2GRM5METRIPK1
SCHEMBL3402413 0.85 TP53 (0.50) TP53PTGS2GRM5METRIPK1
SCHEMBL3401246 0.85 MET (0.56) TP53PTGS2GRM5METRIPK1
SCHEMBL3405207 0.83 GRM5 (0.67) TP53PTGS2GRM5RIPK1MAPT
SCHEMBL3402289 0.83 GRM5 (0.67) TP53PTGS2GRM5METMAPT
SCHEMBL3433965 0.82 TP53 (0.55) TP53PTGS2GRM5METMAPT
SCHEMBL3401188 0.81 TP53 (0.59) TP53PTGS2GRM5MAPTSMN1; SMN2
SCHEMBL3405011 0.80 MET (0.59) TP53PTGS2GRM5METMAPT
SCHEMBL7987917 0.80 TP53 (0.57) TP53PTGS2GRM5METMAPT
SCHEMBL3435510 0.80 TP53 (0.57) TP53PTGS2GRM5METRIPK1

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