SCHEMBL20930635

SCHEMBL20930635

O=C(Nc1cc(-c2ccc(CNC(=O)N3CC[S+]([O-])CC3)cc2)c2cc[nH]c2n1)C1CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.77

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
SCHEMBL20918761 0.88 JAK1 (0.82) JAK1
SCHEMBL20919068 0.88 JAK1 (0.80) JAK1
SCHEMBL20917981 0.87 JAK1 (1.00) JAK1
SCHEMBL20930347 0.86 JAK1 (0.69) JAK1
SCHEMBL20930587 0.85 JAK1 (0.77) JAK1
SCHEMBL20930350 0.81 JAK1 (0.71) JAK1
SCHEMBL20930825 0.79 JAK1 (0.58) JAK1
SCHEMBL20918796 0.78 JAK1 (1.00) JAK1
SCHEMBL20918277 0.78 JAK1 (1.00) JAK1
SCHEMBL30356081 0.78 JAK1 (1.00) JAK1

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
WO-2019078619-A1 HETEROCYCLIC COMPOUND AS A PROTEIN KINASE INHIBITOR CJ HEALTHCARE CORPORATION (KR) 2019-04-25 — — WO disclosed
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