Sugi Predict

Sugi Predict / Compounds / SCHEMBL30227249

SCHEMBL30227249

SCHEMBL30227249

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(=O)OCC)cn2)c1OC

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.82
▸ STAT3 P40763 2/20 0.70
▸ JAK2 O60674 1/20 0.70
▸ JAK1 P23458 1/20 0.70
▸ STAT1 P42224 1/20 0.70
▸ JAK3 P52333 1/20 0.70
▸ BMPR2 Q13873 1/20 0.70

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
SCHEMBL25536912 0.94 TYK2 (0.77) TYK2JAK2
SCHEMBL30227549 0.90 TYK2 (1.00) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30227364 0.90 TYK2 (0.86) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30227265 0.89 TYK2 (1.00) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30227337 0.89 TYK2 (1.00) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30227276 0.88 TYK2 (0.87) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30227358 0.88 TYK2 (1.00) TYK2STAT3JAK2JAK1STAT1
SCHEMBL15689568 0.87 TYK2 (0.72) TYK2
SCHEMBL23779215 0.87 TYK2 (0.69) TYK2STAT3JAK2JAK1STAT1
SCHEMBL30227341 0.86 TYK2 (0.60) TYK2STAT3JAK2JAK1STAT1

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-4143180-A1 SUBSTITUTED N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE OR N-(METHYL-D3)-NICOTINAMIDE COMPOUNDS AS IL-12, IL-23 AND/OR IFNALPHA MODULATORS Bristol-Myers Squibb Company (US) 2023-03-08 — — EP disclosed