SCHEMBL30636414

SCHEMBL30636414

[2H]C([2H])([2H])NC(=O)c1cnccc1Nc1cccc(-c2ncc(F)cn2)c1OC([2H])([2H])[2H]

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.61
▸ JAK1 P23458 3/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ STAT3 P40763 1/20 0.43

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
SCHEMBL30466384 0.95 TYK2 (0.67) TYK2JAK1CYP2C19STAT3
SCHEMBL31218707 0.88 TYK2 (0.57) TYK2JAK1CYP2C19
SCHEMBL30636204 0.88 TYK2 (0.57) TYK2JAK1CYP2C19
SCHEMBL30636228 0.85 TYK2 (0.61) TYK2JAK1CYP2C19
SCHEMBL29686572 0.80 TYK2 (0.72) TYK2JAK1CYP2C19
SCHEMBL30490080 0.80 TYK2 (0.49) TYK2JAK1CYP2C19
SCHEMBL30963331 0.79 TYK2 (0.68) TYK2JAK1STAT3
SCHEMBL30227260 0.79 TYK2 (0.67) TYK2JAK1CYP2C19STAT3
SCHEMBL29686377 0.78 TYK2 (0.73) TYK2JAK1CYP2C19
SCHEMBL30636184 0.76 TYK2 (0.92) TYK2JAK1CYP2C19STAT3

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
WO-2023213308-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 苏州隆博泰药业有限公司 2023-11-09 — — WO disclosed
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