SCHEMBL20930446

SCHEMBL20930446

O=C(Nc1nc(-c2ccc(NSN3CCOCC3)cc2)c2nc[nH]c2n1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.51
▸ STAT3 P40763 1/20 0.42
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL20918119 0.83 JAK1 (0.74) JAK1STAT3
SCHEMBL30356216 0.83 JAK1 (0.74) JAK1STAT3
SCHEMBL20930670 0.81 JAK1 (0.51) JAK1
SCHEMBL20930234 0.76 JAK1 (0.54) JAK1
SCHEMBL20918015 0.75 JAK1 (0.71) JAK1
SCHEMBL30356056 0.75 JAK1 (0.71) JAK1
SCHEMBL20918456 0.74 JAK1 (0.41) JAK1
SCHEMBL20918792 0.73 JAK1 (0.55) JAK1JAK2
SCHEMBL30356243 0.73 JAK1 (0.55) JAK1JAK2
SCHEMBL20918455 0.72 JAK1 (0.56) JAK1JAK2

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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