SCHEMBL18755041

SCHEMBL18755041

COc1cccc(-c2c(C)cc(Nc3n[nH]c(N)n3)cc2C)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.54
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GFER P55789 1/20 0.47

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
SCHEMBL16014012 0.87 — —
SCHEMBL18755079 0.78 JAK2 (0.53) JAK2
SCHEMBL18755088 0.78 JAK2 (0.53) JAK2
SCHEMBL18755237 0.77 JAK2 (0.58) JAK2GAAMAPTGFER
SCHEMBL18856585 0.75 JAK2 (0.73) JAK2GAAMAPTGFER
SCHEMBL18754968 0.74 JAK2 (0.53) JAK2
SCHEMBL18723759 0.73 JAK2 (0.55) JAK2GAAMAPTGFER
SCHEMBL18755097 0.73 JAK2 (0.62) JAK2
SCHEMBL18755108 0.72 JAK2 (0.58) JAK2GAAGFER
SCHEMBL18755121 0.72 JAK2 (0.60) JAK2GAAMAPTGFER

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-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 — — EP disclosed
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