SCHEMBL19217045

SCHEMBL19217045

CCC(C)(C)C[C@H]1C[C@H](Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)C[C@@H](C)N1[SH](=O)=O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.60
▸ JAK3 P52333 20/20 0.60
▸ JAK2 O60674 15/20 0.60
▸ P2RX3 P56373 1/20 0.58
▸ P2RX2 Q9UBL9 1/20 0.58
▸ JAK1 P23458 16/20 0.58

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
SCHEMBL19503933 0.92 TYK2 (0.64) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL21676099 0.89 TYK2 (0.66) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL19503872 0.89 TYK2 (0.59) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL19217030 0.83 TYK2 (0.63) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL24337195 0.81 TYK2 (0.64) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL21676237 0.81 TYK2 (0.64) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL19503874 0.80 TYK2 (0.64) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL24336992 0.79 JAK3 (0.77) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL24690098 0.79 JAK3 (0.77) TYK2JAK3JAK2P2RX3P2RX2
SCHEMBL24336999 0.79 JAK3 (0.77) TYK2JAK3JAK2P2RX3P2RX2

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
US-9725470-B2 Substituted naphthyridines as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US disclosed
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