SCHEMBL27289979

SCHEMBL27289979

COc1c(Nc2nc(Nc3cnccn3)ncc2C(N)=O)cccc1-c1ncn(C)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.48
▸ JAK1 P23458 9/20 0.48
▸ JAK2 O60674 6/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ STAT3 P40763 1/20 0.46
▸ JAK3 P52333 3/20 0.44

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
SCHEMBL27290121 0.91 TYK2 (0.57) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL27290127 0.90 JAK1 (0.48) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL27289981 0.89 TYK2 (0.58) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL27290131 0.89 JAK1 (0.47) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL27290619 0.89 TYK2 (0.56) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL30923163 0.88 TYK2 (0.53) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL27290116 0.88 TYK2 (0.53) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL30923301 0.88 TYK2 (0.53) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL27290621 0.88 TYK2 (0.53) TYK2JAK1JAK2KCNH2STAT3
SCHEMBL27289877 0.86 TYK2 (0.48) TYK2JAK1JAK2KCNH2STAT3

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-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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