SCHEMBL19217033

SCHEMBL19217033

CCC(C)C[C@H]1C[C@H](Nc2nc(Nc3cc(C)[nH]n3)cc3ncccc23)C[C@@H](CC)N1C=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 16/20 0.60
▸ JAK1 P23458 16/20 0.59
▸ P2RX3 P56373 1/20 0.58
▸ P2RX2 Q9UBL9 1/20 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
SCHEMBL21676237 0.89 TYK2 (0.64) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL19217043 0.88 TYK2 (0.62) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL23517167 0.81 JAK3 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL19503872 0.80 TYK2 (0.59) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24337195 0.80 TYK2 (0.64) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL19503933 0.79 TYK2 (0.64) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21676287 0.79 TYK2 (0.79) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL19503874 0.79 TYK2 (0.64) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL19217030 0.79 TYK2 (0.63) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL22054536 0.79 TYK2 (0.68) TYK2JAK3JAK2JAK1P2RX3

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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