SCHEMBL18856771

SCHEMBL18856771

Nc1nc(Nc2cc(Cl)c(Br)c(CI)c2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL16014502 0.86 GAA (0.59) GAAMEN1GFERKMT2AMAPT
SCHEMBL16014545 0.80
SCHEMBL16471272 0.79 GAA (0.61) GAAMEN1GFERKMT2AMAPT
SCHEMBL16471273 0.77 GAA (0.63) GAAMEN1GFERKMT2AMAPT
SCHEMBL18856553 0.77
SCHEMBL16014331 0.77
SCHEMBL15544102 0.75 GAA (0.59) GAAMEN1GFERKMT2AMAPT
SCHEMBL18856773 0.75 GAA (0.59) GAAMEN1GFERKMT2AMAPT
SCHEMBL16471283 0.74 GAA (0.63) GAAMEN1GFERKMT2AMAPT
SCHEMBL15606409 0.74 JAK2 (0.70) GAAMEN1GFERKMT2AMAPT

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
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed