SCHEMBL18856830

SCHEMBL18856830

CN(C)C(=O)c1ccc(Nc2n[nH]c(N)n2)cc1CI

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.50
▸ GAA P10253 3/20 0.44
▸ GFER P55789 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL18856531 0.85 JAK2 (0.64) JAK2GAAGFERMEN1KMT2A
SCHEMBL15555980 0.84 GAA (0.52) JAK2GAAGFERMEN1KMT2A
SCHEMBL15606409 0.79 JAK2 (0.70) JAK2GAAGFERMEN1KMT2A
SCHEMBL15556419 0.78 GAA (0.56) JAK2GAAGFERMEN1KMT2A
SCHEMBL16022837 0.73 JAK2 (0.40) JAK2
SCHEMBL18856759 0.72 JAK2 (0.49) JAK2GAAGFERMEN1KMT2A
SCHEMBL18856545 0.71 JAK2 (0.51) JAK2GAAGFERMEN1KMT2A
SCHEMBL17394301 0.69 — —
SCHEMBL18856735 0.69 GAA (0.63) JAK2GAAGFERMEN1KMT2A
SCHEMBL18755083 0.68 JAK2 (0.56) JAK2GAAGFERMEN1KMT2A

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
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