SCHEMBL29565856

SCHEMBL29565856

Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.75
▸ JAK3 P52333 20/20 0.75
▸ JAK2 O60674 15/20 0.75
▸ JAK1 P23458 15/20 0.75
▸ P2RX3 P56373 1/20 0.64
▸ P2RX2 Q9UBL9 1/20 0.64

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
SCHEMBL18269689 1.00 TYK2 (0.75) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL29512168 1.00 TYK2 (0.75) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL26323063 0.97 JAK3 (0.78) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260446 0.89 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260449 0.89 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23878845 0.88 TYK2 (0.58) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22054114 0.88 TYK2 (0.58) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL31304735 0.88 TYK2 (0.58) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21574333 0.86 TYK2 (0.79) TYK2JAK3JAK2JAK1
SCHEMBL19469201 0.86 TYK2 (0.79) TYK2JAK3JAK2JAK1

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-116368134-A Methods of making ubiquitin JAK inhibitors and related intermediate compounds 施万生物制药研发IP有限责任公司 2023-06-30 — — CN disclosed
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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