SCHEMBL29565740

SCHEMBL29565740

COCCS(=O)(=O)N1[C@@H]2CC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 1.00
▸ TYK2 P29597 19/20 1.00
▸ JAK2 O60674 13/20 1.00
▸ JAK1 P23458 13/20 1.00
▸ P2RX3 P56373 1/20 0.78
▸ P2RX2 Q9UBL9 1/20 0.78

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
SCHEMBL18269705 1.00 JAK3 (1.00) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL18269706 0.91 JAK3 (1.00) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL18263244 0.88 JAK3 (1.00) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL18269708 0.88 JAK3 (1.00) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24995434 0.84 JAK3 (0.79) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL30227676 0.83 JAK3 (0.81) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22053995 0.83 JAK3 (0.81) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL23878815 0.83 JAK3 (0.81) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL23878897 0.83 TYK2 (0.71) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22054009 0.83 TYK2 (0.71) JAK3TYK2JAK2JAK1P2RX3

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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