SCHEMBL25959622

SCHEMBL25959622

COCC(C(=O)Nc1cccc2c(-c3nc(Nc4cccc(SC)c4F)ncc3F)c[nH]c12)N1CCN(C)CC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 15/20 0.81
▸ JAK2 O60674 10/20 0.81
▸ TYK2 P29597 1/20 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
Londamocitinib SCHEMBL30018267 0.89 JAK1 (1.00) JAK1JAK2TYK2
Londamocitinib SCHEMBL30018109 0.89 JAK1 (1.00) JAK1JAK2TYK2
Londamocitinib SCHEMBL20399350 0.89 JAK1 (1.00) JAK1JAK2TYK2
Londamocitinib SCHEMBL20399395 0.89 JAK1 (1.00) JAK1JAK2TYK2
Londamocitinib SCHEMBL20399407 0.89 JAK1 (1.00) JAK1JAK2TYK2
Hydrogen Sulfide SCHEMBL25959601 0.88 JAK1 (0.74) JAK1JAK2TYK2
SCHEMBL18662686 0.87 JAK1 (1.00) JAK1JAK2TYK2
SCHEMBL29395478 0.87 JAK1 (1.00) JAK1JAK2TYK2
SCHEMBL19551082 0.87 JAK1 (1.00) JAK1JAK2TYK2
SCHEMBL29391999 0.87 JAK1 (1.00) JAK1JAK2TYK2

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-4219470-A1 JAK1 SELECTIVE INHIBITORS Astrazeneca AB (SE) 2023-08-02 — — EP disclosed
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