SCHEMBL18856595

SCHEMBL18856595

CNC(=O)Nc1ccc(Nc2n[nH]c(N)n2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.62
▸ TNIK Q9UKE5 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ GFER P55789 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 1/20 0.45

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
SCHEMBL15556211 0.87 GAA (0.51) JAK2GAAGFERMEN1KMT2A
SCHEMBL18856500 0.78 TNIK (0.46) TNIK
SCHEMBL18856733 0.78 JAK2 (1.00) JAK2L3MBTL1GAAGFERMEN1
SCHEMBL18723653 0.78 GAA (0.68) JAK2GAAGFERMEN1KMT2A
SCHEMBL18856531 0.75 JAK2 (0.64) JAK2GAAGFERMEN1KMT2A
SCHEMBL18856402 0.74 JAK2 (0.76) JAK2GAAGFERMEN1KMT2A
SCHEMBL30408697 0.73 GAA (0.57) JAK2GAAGFERMEN1KMT2A
SCHEMBL18856585 0.73 JAK2 (0.73) JAK2GAAGFERMEN1KMT2A
SCHEMBL20108638 0.73 JAK2 (0.54) JAK2
SCHEMBL15555851 0.71 JAK2 (0.76) 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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