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Sugi Predict / Compounds / Ifidancitinib

Ifidancitinib

Ifidancitinib

SCHEMBL23356161

[2H]C([2H])([2H])Oc1cc(Nc2ncc(C([2H])([2H])[2H])c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F

nearest known ligand 0.83

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.83
▸ JAK3 P52333 20/20 0.83
▸ JAK2 O60674 12/20 0.83
▸ CYP1A2 P05177 2/20 0.83
▸ TYK2 P29597 1/20 0.83
▸ CYP3A4 P08684 9/20 0.69
▸ SYK P43405 1/20 0.55

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
Ifidancitinib SCHEMBL23356291 0.96 JAK1 (0.90) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL23356214 0.92 JAK1 (0.82) JAK1JAK3JAK2CYP1A2TYK2
Ifidancitinib SCHEMBL10177151 0.91 JAK1 (0.76) JAK1JAK3JAK2CYP1A2TYK2
Ifidancitinib SCHEMBL342002 0.91 JAK1 (1.00) JAK1JAK3JAK2CYP1A2TYK2
Ifidancitinib SCHEMBL29360646 0.91 JAK1 (1.00) JAK1JAK3JAK2CYP1A2TYK2
Ifidancitinib SCHEMBL29609558 0.91 JAK1 (1.00) JAK1JAK3JAK2CYP1A2TYK2
Ifidancitinib SCHEMBL20767498 0.90 JAK1 (0.98) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL339570 0.88 JAK1 (0.88) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL23356316 0.87 JAK1 (0.90) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL340268 0.87 JAK1 (0.74) JAK1JAK3JAK2CYP1A2TYK2

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-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 — — EP claimed