SCHEMBL29566077

SCHEMBL29566077

Cc1cc(Nc2cc3ncc(S(C)(=O)=O)cc3c(NC3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.63
▸ JAK3 P52333 20/20 0.63
▸ JAK1 P23458 15/20 0.63
▸ JAK2 O60674 14/20 0.60
▸ P2RX3 P56373 1/20 0.54
▸ P2RX2 Q9UBL9 1/20 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
SCHEMBL18269699 1.00 TYK2 (0.63) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL30569793 1.00 TYK2 (0.63) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL19469173 1.00 TYK2 (0.63) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL18269700 0.97 TYK2 (0.58) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL29565769 0.97 TYK2 (0.58) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL21574365 0.97 TYK2 (0.58) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL19469186 0.97 TYK2 (0.58) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL30569769 0.97 TYK2 (0.58) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL18260490 0.90 JAK3 (0.68) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL18260495 0.90 JAK3 (0.68) TYK2JAK3JAK1JAK2P2RX3

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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