SCHEMBL28664771

SCHEMBL28664771

Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N1CCC2(CCNC2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 1.00
▸ TYK2 P29597 20/20 1.00
▸ JAK2 O60674 16/20 1.00
▸ JAK3 P52333 14/20 1.00

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
SCHEMBL28928769 0.92 JAK1 (0.85) JAK1TYK2JAK2JAK3
SCHEMBL28928777 0.92 JAK1 (0.84) JAK1TYK2JAK2JAK3
SCHEMBL28666721 0.91 TYK2 (0.83) JAK1TYK2JAK2JAK3
SCHEMBL28649204 0.90 JAK1 (0.82) JAK1TYK2JAK2JAK3
SCHEMBL28654897 0.90 JAK1 (0.81) JAK1TYK2JAK2JAK3
SCHEMBL28662750 0.89 JAK1 (0.80) JAK1TYK2JAK2JAK3
SCHEMBL29520586 0.89 JAK1 (0.80) JAK1TYK2JAK2JAK3
SCHEMBL28654961 0.89 JAK1 (1.00) JAK1TYK2JAK2JAK3
SCHEMBL28659742 0.88 JAK1 (0.79) JAK1TYK2JAK2JAK3
SCHEMBL29520582 0.88 JAK1 (0.79) JAK1TYK2JAK2JAK3

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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