SCHEMBL3435510

SCHEMBL3435510

Cc1cc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)ncn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
PTGS2 P35354 5/20 0.56
MAPT P10636 2/20 0.53
MET P08581 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RIPK1 Q13546 1/20 0.52
GRM5 P41594 2/20 0.45
SMURF1 Q9HCE7 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL3398194 0.89 TP53 (0.55) TP53PTGS2MAPTMETSMN1; SMN2
SCHEMBL3405011 0.82 MET (0.59) TP53PTGS2MAPTMETSMN1; SMN2
SCHEMBL3405207 0.81 GRM5 (0.67) TP53PTGS2MAPTSMN1; SMN2RIPK1
SCHEMBL3402699 0.80 TP53 (0.57) TP53PTGS2MAPTMETSMN1; SMN2
SCHEMBL7987917 0.80 TP53 (0.57) TP53PTGS2MAPTMETSMN1; SMN2
SCHEMBL3402289 0.78 GRM5 (0.67) TP53PTGS2MAPTMETSMN1; SMN2
SCHEMBL13754541 0.78 PTGS2 (0.71) TP53PTGS2MAPTMETSMN1; SMN2
SCHEMBL3400890 0.77 SMN1; SMN2 (0.65) TP53PTGS2MAPTMETSMN1; SMN2
SCHEMBL3401188 0.76 TP53 (0.59) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL8000300 0.75 GRM5 (0.69) TP53PTGS2MAPTMETSMN1; SMN2

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 3 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 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