SCHEMBL21229893

SCHEMBL21229893

Cc1cc(Nc2cc3ncccc3c(NC3CC4CCC(C3)N4C(=O)C(F)F)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
▸ JAK2 O60674 15/20 1.00
▸ JAK1 P23458 15/20 1.00
▸ P2RX3 P56373 1/20 0.65
▸ P2RX2 Q9UBL9 1/20 0.65

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
SCHEMBL29565849 1.00 TYK2 (1.00) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18269704 1.00 TYK2 (1.00) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260445 1.00 TYK2 (1.00) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260443 1.00 TYK2 (1.00) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260446 0.90 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18260449 0.90 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL26083190 0.89 TYK2 (0.82) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL21574326 0.86 TYK2 (0.76) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL18269689 0.86 TYK2 (0.75) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL29512168 0.86 TYK2 (0.75) 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
EP-3303348-B1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2019-08-07 — — EP disclosed
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