SCHEMBL28648919

SCHEMBL28648919

Cc1cnc(Nc2cccc(N3CCN(C)CC3)c2)nc1N1CCC2(CCNC2=O)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.74
▸ JAK1 P23458 19/20 0.74
▸ JAK2 O60674 15/20 0.67
▸ JAK3 P52333 13/20 0.67

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
SCHEMBL28649204 0.91 JAK1 (0.82) TYK2JAK1JAK2JAK3
SCHEMBL28666721 0.89 TYK2 (0.83) TYK2JAK1JAK2JAK3
SCHEMBL28928773 0.85 TYK2 (1.00) TYK2JAK1JAK2JAK3
SCHEMBL28669365 0.83 TYK2 (0.81) TYK2JAK1JAK2JAK3
SCHEMBL28650306 0.81 TYK2 (1.00) TYK2JAK1JAK2JAK3
SCHEMBL28928777 0.81 JAK1 (0.84) TYK2JAK1JAK2JAK3
SCHEMBL29520586 0.81 JAK1 (0.80) TYK2JAK1JAK2JAK3
SCHEMBL28662750 0.81 JAK1 (0.80) TYK2JAK1JAK2JAK3
SCHEMBL28653810 0.81 TYK2 (1.00) TYK2JAK1JAK2JAK3
SCHEMBL28664771 0.80 JAK1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461687-B 2, 8-aza- [4,5] decaspirocyclic ketone derivative and preparation method and application thereof 四川大学华西医院 2022-04-19 — — CN disclosed
CN-113461687-A 2, 8-aza- [4,5] decaspirocyclic ketone derivative and preparation method and application thereof 四川大学华西医院 2021-10-01 — — CN disclosed
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