SCHEMBL25287069

SCHEMBL25287069

Cc1cc(Nc2cc(Nc3ncc(-c4cnn(C)c4C)cc3NS(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.37
▸ PIK3CA P42336 4/20 0.35
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ TYK2 P29597 3/20 0.33
▸ MTOR P42345 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ FYN P06241 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 0.87 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25242170 0.85 TYK2 (0.39) PIK3CAPIK3C3TYK2
SCHEMBL25244416 0.84 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25240241 0.82 TYK2 (0.34) PIK3CAPIK3C3TYK2
SCHEMBL25289334 0.81 MAPT (0.31) PIK3C3TYK2
SCHEMBL25292442 0.81 TTK (0.41) TYK2
SCHEMBL25283690 0.80 PIK3C3 (0.31) PIK3C3
SCHEMBL25283616 0.80 PIK3C3 (0.34) PIK3C3TYK2
SCHEMBL25241375 0.79 TYK2 (0.49) TYK2
SCHEMBL25241283 0.76 PIK3C3 (0.34) PIK3CAPIK3C3TYK2MTORPIK3CD

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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