SCHEMBL29597698

SCHEMBL29597698

CCNC(=O)c1ccc(Nc2nccc(N3C[C@]4(C)CN(C(=O)C5CC5)C[C@]4(C)C3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.69
▸ JAK1 P23458 19/20 0.69
▸ JAK2 O60674 18/20 0.69
▸ JAK3 P52333 3/20 0.57

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
SCHEMBL22855942 1.00 TYK2 (0.69) TYK2JAK1JAK2JAK3
SCHEMBL29414167 0.88 TYK2 (0.52) TYK2JAK1JAK2JAK3
SCHEMBL22855941 0.88 TYK2 (0.52) TYK2JAK1JAK2JAK3
SCHEMBL22856034 0.88 TYK2 (0.52) TYK2JAK1JAK2JAK3
SCHEMBL22855940 0.81 JAK2 (0.67) TYK2JAK1JAK2JAK3
SCHEMBL17545397 0.78 TYK2 (0.70) TYK2JAK1JAK2JAK3
Hydrochloric Acid SCHEMBL17512510 0.77 TYK2 (0.69) TYK2JAK1JAK2JAK3
Hydrochloric Acid SCHEMBL17512666 0.76 TYK2 (0.69) TYK2JAK1JAK2JAK3
SCHEMBL29414214 0.75 AURKA (0.48) TYK2JAK1JAK2
SCHEMBL22856004 0.74 TYK2 (0.59) TYK2JAK1JAK2JAK3

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
EP-3990449-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY Guangzhou InnoCare Pharma Tech Co., Ltd. (CN) 2022-05-04 — — EP disclosed
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