SCHEMBL29232010

SCHEMBL29232010

CNC(=O)c1cnc(NC2=CCN(C)C=C2)nc1Nc1cccc(-c2noc(C)n2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.41
▸ JAK1 P23458 11/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ AXL P30530 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ INSR P06213 4/20 0.37
▸ ALK Q9UM73 4/20 0.37
▸ PKMYT1 Q99640 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ PTK2 Q05397 3/20 0.37

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
SCHEMBL29883118 0.82 JAK1 (0.45) TYK2JAK1KCNH2AXLMERTK
SCHEMBL29232093 0.82 JAK1 (0.45) TYK2JAK1KCNH2AXLMERTK
SCHEMBL29232107 0.81 AXL (0.51) TYK2JAK1KCNH2AXLMERTK
SCHEMBL29882805 0.77 TYK2 (0.44) TYK2JAK1KCNH2PKMYT1PTK2
SCHEMBL29232078 0.77 TYK2 (0.44) TYK2JAK1KCNH2PKMYT1PTK2
SCHEMBL29882997 0.77 TYK2 (0.43) TYK2JAK1KCNH2PLK1
SCHEMBL27289976 0.72 SYK (0.47) TYK2JAK1AXLINSRALK
SCHEMBL25712180 0.71 TYK2 (0.57) TYK2JAK1KCNH2
SCHEMBL25712182 0.71 TYK2 (0.59) TYK2JAK1KCNH2
SCHEMBL30636240 0.70 TYK2 (0.70) TYK2JAK1

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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