SCHEMBL21229592

SCHEMBL21229592

Cc1cc(Nc2cc3nc(CO)ccc3c(NC3CC4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.79
▸ JAK3 P52333 19/20 0.79
▸ JAK1 P23458 17/20 0.79
▸ JAK2 O60674 13/20 0.79

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
SCHEMBL29565829 1.00 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL30569801 1.00 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL28414573 1.00 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL19469201 1.00 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL18269696 1.00 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL21574333 1.00 TYK2 (0.79) TYK2JAK3JAK1JAK2
SCHEMBL18260459 0.89 TYK2 (0.78) TYK2JAK3JAK1JAK2
SCHEMBL20580498 0.89 TYK2 (0.78) TYK2JAK3JAK1JAK2
SCHEMBL18260455 0.89 TYK2 (0.78) TYK2JAK3JAK1JAK2
SCHEMBL18269709 0.88 TYK2 (1.00) 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
EP-3303348-B1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2019-08-07 — — EP disclosed
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