SCHEMBL29566495

SCHEMBL29566495

COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.69
▸ JAK3 P52333 20/20 0.69
▸ JAK1 P23458 18/20 0.69
▸ JAK2 O60674 17/20 0.69

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
SCHEMBL18260487 1.00 TYK2 (0.69) TYK2JAK3JAK1JAK2
SCHEMBL18260488 1.00 TYK2 (0.69) TYK2JAK3JAK1JAK2
SCHEMBL29565769 0.88 TYK2 (0.58) TYK2JAK3JAK1JAK2
SCHEMBL21574365 0.88 TYK2 (0.58) TYK2JAK3JAK1JAK2
SCHEMBL18269700 0.88 TYK2 (0.58) TYK2JAK3JAK1JAK2
SCHEMBL30569769 0.88 TYK2 (0.58) TYK2JAK3JAK1JAK2
SCHEMBL19469186 0.88 TYK2 (0.58) TYK2JAK3JAK1JAK2
SCHEMBL24337129 0.87 TYK2 (0.57) TYK2JAK3JAK1JAK2
SCHEMBL24337137 0.85 TYK2 (0.56) TYK2JAK3JAK1JAK2
SCHEMBL18269689 0.85 TYK2 (0.75) TYK2JAK3JAK1JAK2

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
CN-111362975-B Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2022-04-05 — — CN disclosed
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