SCHEMBL3404285

SCHEMBL3404285

Cc1cc(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)ccn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.63
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
GRM5 P41594 3/20 0.47
SMURF1 Q9HCE7 1/20 0.47
SORT1 Q99523 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
SCHEMBL3401287 0.92 MET (0.63) METPOLBTP53MAPTALDH1A1
SCHEMBL3404139 0.91 MET (0.61) METTP53MAPTSMN1; SMN2GRM5
SCHEMBL3405011 0.86 MET (0.59) METTP53MAPTSMN1; SMN2GRM5
SCHEMBL3407140 0.85 MAPT (0.60) METPOLBTP53MAPTALDH1A1
SCHEMBL3400866 0.84 MAPT (0.58) METPOLBTP53MAPTALDH1A1
SCHEMBL3401246 0.83 MET (0.56) METPOLBTP53MAPTALDH1A1
SCHEMBL8001635 0.76 MAPT (0.58) METTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL7986777 0.75 MEN1 (0.60) POLBTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL3407265 0.74 MAPT (0.65) METTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL3403988 0.74 SMN1; SMN2 (0.64) POLBTP53MAPTALDH1A1SMN1; 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 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