SCHEMBL25238998

SCHEMBL25238998

Cc1cc(Nc2cc(Nc3ncc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ MET P08581 2/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ MST1R Q04912 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TTK P33981 1/20 0.33

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
SCHEMBL25288635 0.86 TYK2 (0.40) TYK2PIK3CAPIK3C3
SCHEMBL25292519 0.85 TYK2 (0.39) TYK2PIK3CAPIK3C3
SCHEMBL25238145 0.85 TYK2 (0.39) TYK2PIK3CAPIK3C3
SCHEMBL25289699 0.85 TYK2 (0.40) TYK2PIK3CAPIK3C3
SCHEMBL25242170 0.85 TYK2 (0.39) TYK2PIK3CAPIK3C3
SCHEMBL25288619 0.85 TYK2 (0.42) TYK2PIK3CAPIK3C3TTK
SCHEMBL25288710 0.84 TYK2 (0.40) TYK2PIK3CAPIK3C3
SCHEMBL25289205 0.84 TYK2 (0.39) TYK2PIK3CAPIK3C3
SCHEMBL25242794 0.84 TYK2 (0.39) TYK2PIK3CAPIK3C3
SCHEMBL25290632 0.84 TYK2 (0.39) TYK2PIK3CAPIK3C3

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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