SCHEMBL21574367

SCHEMBL21574367

Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4CCF)n2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 1.00
▸ JAK3 P52333 20/20 1.00
▸ JAK1 P23458 17/20 1.00
▸ JAK2 O60674 16/20 1.00
▸ P2RX3 P56373 1/20 0.69
▸ P2RX2 Q9UBL9 1/20 0.69

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
SCHEMBL18269701 1.00 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL21574361 0.93 TYK2 (0.87) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL26083190 0.90 TYK2 (0.82) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL21574323 0.90 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL18269687 0.90 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL24594552 0.90 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL18260453 0.90 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL24594577 0.90 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL21229638 0.90 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL29509287 0.90 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3

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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