SCHEMBL25283616

SCHEMBL25283616

Cc1cc(Nc2cc(Nc3ncc(-c4cnn(C)c4C)c(C)c3S(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 2/20 0.34
▸ TYK2 P29597 7/20 0.33
▸ POLB P06746 1/20 0.32
▸ GAA P10253 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
SCHEMBL25241788 0.83 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25285749 0.83 TYK2 (0.36) TYK2POLBGAA
SCHEMBL25287069 0.80 BACE1 (0.37) PIK3C3TYK2
SCHEMBL25242170 0.79 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25244416 0.78 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25240241 0.77 TYK2 (0.34) PIK3C3TYK2
SCHEMBL25241375 0.77 TYK2 (0.49) TYK2
SCHEMBL25289334 0.76 MAPT (0.31) PIK3C3TYK2
SCHEMBL25292442 0.75 TTK (0.41) TYK2
SCHEMBL25289237 0.73 GAA (0.39) PIK3C3TYK2POLBGAA

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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