SCHEMBL3402289

SCHEMBL3402289

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.67
TP53 P04637 4/20 0.61
PTGS2 P35354 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 3/20 0.52
GSK3B P49841 1/20 0.47
WNT3A P56704 1/20 0.47
SMURF1 Q9HCE7 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
MET P08581 1/20 0.46
KDR P35968 1/20 0.45

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
SCHEMBL3405207 0.91 GRM5 (0.67) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL3401188 0.89 TP53 (0.59) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL8000300 0.87 GRM5 (0.69) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL3402699 0.83 TP53 (0.57) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL30387819 0.81 GRM5 (0.58) GRM5TP53SMN1; SMN2MAPTGSK3B
SCHEMBL20604169 0.81 GRM5 (0.58) GRM5TP53SMN1; SMN2MAPTGSK3B
SCHEMBL7987917 0.81 TP53 (0.57) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL3400890 0.80 SMN1; SMN2 (0.65) TP53PTGS2SMN1; SMN2MAPTNPC1
SCHEMBL13754541 0.79 PTGS2 (0.71) TP53PTGS2SMN1; SMN2MAPTMET
SCHEMBL3435510 0.78 TP53 (0.57) GRM5TP53PTGS2SMN1; SMN2MAPT

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