SCHEMBL25283606

SCHEMBL25283606

Cc1cc(Nc2cc(Nc3ncc(-c4cnn(C)c4C)cc3N(C)S(C)(=O)=O)ncn2)ncc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.34
▸ JAK1 P23458 2/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ SLC34A1 Q06495 2/20 0.32
▸ PIP4K2A P48426 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL25243202 0.89 SLC34A1 (0.35) TYK2JAK1PIK3C3SLC34A1
SCHEMBL25241283 0.88 PIK3C3 (0.34) TYK2PIK3C3PIK3CDPIK3CAPIK3CB
SCHEMBL25242170 0.84 TYK2 (0.39) TYK2PIK3C3PIK3CA
SCHEMBL25288932 0.84 TYK2 (0.38) TYK2JAK1PIK3C3PIK3CDPIK3CA
SCHEMBL25290634 0.81 TYK2 (0.43) TYK2PIK3C3
SCHEMBL25284264 0.80 MAP4K1 (0.47) TYK2PIK3C3
SCHEMBL25240241 0.78 TYK2 (0.34) TYK2PIK3C3PIK3CA
SCHEMBL25249994 0.75 TYK2 (0.40) TYK2JAK1SLC34A1
SCHEMBL25286994 0.74 TYK2 (0.31) TYK2PIK3C3
SCHEMBL25288624 0.72 TYK2 (0.46) TYK2JAK1

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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