SCHEMBL18263244

SCHEMBL18263244

CCS(=O)(=O)N1[C@@H]2CCC[C@H]1C[C@@H](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
▸ P2RX3 P56373 1/20 1.00
▸ P2RX2 Q9UBL9 1/20 1.00
▸ JAK2 O60674 11/20 0.94
▸ JAK1 P23458 12/20 0.81

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
SCHEMBL18269708 1.00 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL18269706 0.97 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL18269713 0.90 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL23517167 0.89 JAK3 (0.82) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL29565740 0.88 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL18269705 0.88 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL30569798 0.88 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL18269707 0.88 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL18263249 0.88 JAK3 (1.00) JAK3TYK2P2RX3P2RX2JAK2
SCHEMBL21229652 0.87 TYK2 (0.78) JAK3TYK2P2RX3P2RX2JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303348-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2018-04-11 — — EP disclosed
WO-2016191524-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 — — WO disclosed
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