SCHEMBL25240241

SCHEMBL25240241

[2H]C([2H])([2H])N(c1cc(-c2cnn(C)c2C)cnc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.34
▸ PIK3C3 Q8NEB9 2/20 0.32
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL25242170 0.94 TYK2 (0.39) TYK2PIK3C3PIK3CA
SCHEMBL25248443 0.87 TYK2 (0.38) TYK2PIK3C3
SCHEMBL25241283 0.86 PIK3C3 (0.34) TYK2PIK3C3PIK3CA
SCHEMBL25241043 0.85 TYK2 (0.34) TYK2PIK3C3
SCHEMBL25241788 0.84 TYK2 (0.39) TYK2PIK3C3
SCHEMBL25287069 0.82 BACE1 (0.37) TYK2PIK3C3PIK3CA
SCHEMBL25288635 0.81 TYK2 (0.40) TYK2PIK3C3PIK3CA
SCHEMBL25244416 0.81 TYK2 (0.39) TYK2PIK3C3
SCHEMBL25284327 0.81 TYK2 (0.43) TYK2
SCHEMBL25288932 0.80 TYK2 (0.38) TYK2PIK3C3PIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP claimed
EP-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP disclosed
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