SCHEMBL28664034

SCHEMBL28664034

O=C1NCCC12CCN(c1ccnc(Nc3ccccc3)n1)CC2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.67
▸ TYK2 P29597 20/20 0.67
▸ JAK2 O60674 16/20 0.54
▸ JAK3 P52333 14/20 0.54

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
SCHEMBL29520351 0.86 JAK1 (0.71) JAK1TYK2JAK2JAK3
SCHEMBL28654908 0.86 JAK1 (0.71) JAK1TYK2JAK2JAK3
SCHEMBL28666764 0.85 JAK1 (0.70) JAK1TYK2JAK2JAK3
SCHEMBL28657664 0.85 JAK1 (0.70) JAK1TYK2JAK2JAK3
SCHEMBL28663088 0.81 JAK1 (0.73) JAK1TYK2JAK2JAK3
SCHEMBL29520567 0.81 JAK1 (0.73) JAK1TYK2JAK2JAK3
SCHEMBL28928773 0.81 TYK2 (1.00) JAK1TYK2JAK2JAK3
SCHEMBL22860794 0.79 POLB (0.61) —
SCHEMBL28118781 0.74 SMG1 (0.70) JAK2
SCHEMBL28654828 0.73 JAK1 (0.84) 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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