SCHEMBL18856545

SCHEMBL18856545

Nc1nc(Nc2ccc(CI)c(C(F)(F)F)c2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL17394242 0.81 JAK2 (0.55) JAK2MEN1GAAGFERKMT2A
SCHEMBL16471325 0.81 GAA (0.58) MEN1GAAGFERKMT2A
SCHEMBL18856546 0.81 JAK2 (0.70) JAK2
SCHEMBL15606409 0.78 JAK2 (0.70) JAK2MEN1GAAGFERKMT2A
SCHEMBL18856776 0.78 JAK2 (0.70) JAK2MEN1GAAGFERKMT2A
SCHEMBL16471276 0.78 MEN1 (0.58) MEN1GAAGFERKMT2A
SCHEMBL17402857 0.77 GAA (0.56) GAAGFER
SCHEMBL17402860 0.76 — —
SCHEMBL17402858 0.75 — —
SCHEMBL18856761 0.74 — —

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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