SCHEMBL7987917

SCHEMBL7987917

Cc1cncc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.57
PTGS2 P35354 5/20 0.56
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
GRM5 P41594 4/20 0.48
MET P08581 3/20 0.46
SMURF1 Q9HCE7 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL3405207 0.85 GRM5 (0.67) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL3402289 0.81 GRM5 (0.67) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL3402699 0.80 TP53 (0.57) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL3435510 0.80 TP53 (0.57) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL3401188 0.79 TP53 (0.59) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL7997003 0.78 TP53 (0.55) TP53PTGS2MAPTSMN1; SMN2MET
SCHEMBL13754541 0.78 PTGS2 (0.71) TP53PTGS2MAPTSMN1; SMN2MET
SCHEMBL8000300 0.77 GRM5 (0.69) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL3398194 0.76 TP53 (0.55) TP53PTGS2MAPTSMN1; SMN2GRM5
SCHEMBL20604169 0.75 GRM5 (0.58) TP53MAPTSMN1; SMN2GRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed