SCHEMBL21574331

SCHEMBL21574331

Cc1cc(Nc2cc3ncccc3c(NC3CC4CCCC(C3)N4C(=O)CN(C)C)n2)n[nH]1

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
▸ JAK1 P23458 14/20 1.00
▸ JAK2 O60674 13/20 1.00
▸ P2RX3 P56373 1/20 0.71
▸ P2RX2 Q9UBL9 1/20 0.71

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
SCHEMBL18260341 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL29566062 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18269703 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18260339 1.00 JAK3 (1.00) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL24995473 0.86 TYK2 (0.75) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18260449 0.86 TYK2 (0.82) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18260446 0.86 TYK2 (0.82) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL26323063 0.85 JAK3 (0.78) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL21676052 0.85 TYK2 (0.73) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL21229652 0.85 TYK2 (0.78) JAK3TYK2JAK1JAK2P2RX3

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-3569604-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2019-11-20 — — EP disclosed
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