SCHEMBL26963025

SCHEMBL26963025

CC(C)NC(=O)N[C@H]1CC[C@H](N(C)c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.64
▸ JAK3 P52333 15/20 0.64
▸ JAK2 O60674 13/20 0.63
▸ TYK2 P29597 4/20 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
SCHEMBL27125875 1.00 JAK1 (0.64) JAK1JAK3JAK2TYK2
SCHEMBL26962782 0.88 JAK1 (0.65) JAK1JAK3JAK2TYK2
SCHEMBL27131196 0.88 JAK1 (0.65) JAK1JAK3JAK2TYK2
SCHEMBL29892600 0.85 JAK1 (0.61) JAK1JAK3JAK2TYK2
SCHEMBL26962813 0.85 JAK1 (0.61) JAK1JAK3JAK2TYK2
SCHEMBL27133804 0.84 JAK1 (0.59) JAK1JAK3JAK2TYK2
SCHEMBL26962903 0.84 JAK1 (0.59) JAK1JAK3JAK2TYK2
SCHEMBL29892586 0.83 JAK1 (0.58) JAK1JAK3JAK2TYK2
SCHEMBL26962966 0.83 JAK1 (0.58) JAK1JAK3JAK2TYK2
SCHEMBL29892665 0.82 JAK1 (0.58) JAK1JAK3JAK2TYK2

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-4021452-B1 SUBSTITUTED (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO COMPOUNDS USEFUL AS JAK1 INHIBITORS CHEMWERTH INC (US) 2023-12-20 — — EP disclosed
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