SCHEMBL25286413

SCHEMBL25286413

[2H]C([2H])([2H])N(c1cccnc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.44
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GRM5 P41594 1/20 0.33
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ AGO2 Q9UKV8 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PTK2 Q05397 2/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FYN P06241 1/20 0.31

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
SCHEMBL25249498 0.93 TYK2 (0.51) TYK2POLBGAAGRM5PIK3C3
SCHEMBL25241440 0.85 TYK2 (0.57) TYK2POLBGAAPDE4AAGO2
SCHEMBL25242188 0.81 TYK2 (0.45) TYK2POLBGAAGRM5PIK3C3
SCHEMBL25241751 0.78 TYK2 (0.44) TYK2POLBGAAPIK3C3PDE4A
SCHEMBL25243819 0.78 TYK2 (0.66) TYK2POLBGAAAKR1C3
SCHEMBL25249691 0.77 TYK2 (0.42) TYK2POLBGAAGRM5PIK3C3
SCHEMBL25241043 0.77 TYK2 (0.34) TYK2PIK3C3
SCHEMBL25289237 0.74 GAA (0.39) TYK2POLBGAAPIK3C3PDE4A
SCHEMBL25242417 0.74 POLB (0.40) TYK2POLBGAAGRM5CYP1A2
SCHEMBL25294012 0.73 POLB (0.44) TYK2POLBGAAGRM5CYP1A2

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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