SCHEMBL29882997

SCHEMBL29882997

CNC(=O)c1cncnc1Nc1cccc(-c2noc(C)n2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.43
▸ JAK1 P23458 13/20 0.43
▸ KCNH2 Q12809 2/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ MAPT P10636 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
SCHEMBL29882985 0.88 TYK2 (0.48) TYK2JAK1KCNH2STAT3
SCHEMBL29883074 0.82 TYK2 (0.52) TYK2JAK1KCNH2
SCHEMBL29883000 0.82 TYK2 (0.60) TYK2JAK1KCNH2STAT3
SCHEMBL29232107 0.82 AXL (0.51) TYK2JAK1KCNH2
SCHEMBL30636426 0.80 TYK2 (0.45) TYK2JAK1PLK1MAPT
SCHEMBL29882789 0.80 TYK2 (0.61) TYK2JAK1KCNH2STAT3
SCHEMBL29883118 0.79 JAK1 (0.45) TYK2JAK1KCNH2STAT3
SCHEMBL29232093 0.79 JAK1 (0.45) TYK2JAK1KCNH2STAT3
SCHEMBL25712180 0.78 TYK2 (0.57) TYK2JAK1KCNH2
SCHEMBL25712182 0.78 TYK2 (0.59) TYK2JAK1KCNH2STAT3

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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