SCHEMBL29232108

SCHEMBL29232108

CNC(=O)c1cnc(Nc2ccc(C#N)cn2)nc1Nc1cccc(-c2ncn(C)n2)c1OC

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.77
▸ JAK1 P23458 6/20 0.77
▸ KCNH2 Q12809 3/20 0.77
▸ STAT3 P40763 1/20 0.77
▸ JAK2 O60674 5/20 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
SCHEMBL29883117 1.00 TYK2 (0.77) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL25749407 0.91 TYK2 (0.65) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29882982 0.89 TYK2 (0.61) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL25748842 0.88 TYK2 (0.62) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL30465876 0.88 TYK2 (0.62) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL27290626 0.87 TYK2 (0.64) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL30465857 0.86 TYK2 (0.58) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29882748 0.85 TYK2 (0.60) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29232098 0.85 TYK2 (0.60) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29232021 0.84 TYK2 (0.61) TYK2JAK1KCNH2STAT3JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197196-B TYK2 inhibitor and application thereof 扬子江药业集团有限公司 2024-06-18 — — CN disclosed
CN-115197196-A TYK2 inhibitor and application thereof 扬子江药业集团有限公司 2022-10-18 — — CN disclosed
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