SCHEMBL3401287

SCHEMBL3401287

Cc1c(C(=O)Nc2ccnc(Cl)c2)nnn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.63
GRM5 P41594 3/20 0.56
POLB P06746 2/20 0.55
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
SMURF1 Q9HCE7 1/20 0.47

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
SCHEMBL3404285 0.92 MET (0.63) METGRM5POLBTP53MAPT
SCHEMBL3407140 0.85 MAPT (0.60) METGRM5POLBTP53MAPT
SCHEMBL3400866 0.84 MAPT (0.58) METGRM5POLBTP53MAPT
SCHEMBL3401246 0.83 MET (0.56) METGRM5POLBTP53MAPT
SCHEMBL3404139 0.82 MET (0.61) METGRM5TP53MAPTSMN1; SMN2
SCHEMBL3405011 0.78 MET (0.59) METGRM5TP53MAPTSMN1; SMN2
SCHEMBL3407265 0.74 MAPT (0.65) METTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL3403988 0.74 SMN1; SMN2 (0.64) POLBTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL8001635 0.73 MAPT (0.58) METTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL7986940 0.73 MAPT (0.55) METGRM5POLBTP53MAPT

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 2 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