SCHEMBL25242541

SCHEMBL25242541

Cc1cc(Nc2cc(Nc3ncc(-c4nc(C)nn4C)cc3N(C)S(C)(=O)=O)ncn2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.42
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PTK2 Q05397 1/20 0.32
▸ SLC34A1 Q06495 4/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL25292435 0.86 PIK3C3 (0.34) TYK2PIK3C3PTK2SLC34A1PIK3CA
SCHEMBL25241283 0.82 PIK3C3 (0.34) TYK2PIK3C3PIK3CA
SCHEMBL25288635 0.82 TYK2 (0.40) TYK2PIK3C3PIK3CA
SCHEMBL25242794 0.81 TYK2 (0.39) TYK2PIK3C3SLC34A1PIK3CA
SCHEMBL25238145 0.81 TYK2 (0.39) TYK2PIK3C3PIK3CA
SCHEMBL25288710 0.80 TYK2 (0.40) TYK2PIK3C3PIK3CA
SCHEMBL25287905 0.80 TYK2 (0.44) TYK2PIK3C3PIK3CA
SCHEMBL25290632 0.79 TYK2 (0.39) TYK2PIK3C3PIK3CA
SCHEMBL25289205 0.79 TYK2 (0.39) TYK2PIK3C3PIK3CA
SCHEMBL25289699 0.79 TYK2 (0.40) TYK2PIK3C3SLC34A1PIK3CA

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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