SCHEMBL29882805

SCHEMBL29882805

CNC(=O)c1cnc(Nc2ccc(F)c(C#N)c2)nc1Nc1cccc(-c2noc(C)n2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.44
▸ JAK1 P23458 13/20 0.44
▸ KCNH2 Q12809 2/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ BMX P51813 2/20 0.40
▸ PKMYT1 Q99640 1/20 0.39
▸ PTK2 Q05397 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
SCHEMBL29232078 1.00 TYK2 (0.44) TYK2JAK1KCNH2MAP4K1IRAK4
SCHEMBL29232026 0.86 TYK2 (0.57) TYK2JAK1KCNH2STAT3
SCHEMBL29882710 0.86 TYK2 (0.57) TYK2JAK1KCNH2STAT3
SCHEMBL29232107 0.79 AXL (0.51) TYK2JAK1KCNH2
SCHEMBL29882777 0.78 TYK2 (0.48) TYK2JAK1KCNH2STAT3PKMYT1
SCHEMBL29883118 0.78 JAK1 (0.45) TYK2JAK1KCNH2LRRK2STAT3
SCHEMBL29232093 0.78 JAK1 (0.45) TYK2JAK1KCNH2LRRK2STAT3
SCHEMBL29232010 0.77 TYK2 (0.41) TYK2JAK1KCNH2PKMYT1PTK2
SCHEMBL29882997 0.76 TYK2 (0.43) TYK2JAK1KCNH2STAT3
SCHEMBL18357335 0.73 AURKA (0.56) KCNH2BMXPKMYT1PTK2

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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