SCHEMBL25249691

SCHEMBL25249691

CN=S(C)(=O)c1cccnc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.42
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ AGO2 Q9UKV8 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
SCHEMBL25242188 0.89 TYK2 (0.45) TYK2POLBGAACYP1A2HIF1A
SCHEMBL25243614 0.85 TYK2 (0.52) TYK2POLBGAA
SCHEMBL25249498 0.80 TYK2 (0.51) TYK2POLBGAACYP1A2HIF1A
SCHEMBL25286413 0.77 TYK2 (0.44) TYK2POLBGAACYP1A2HIF1A
SCHEMBL25240979 0.77 TYK2 (0.43) TYK2POLBGAA
SCHEMBL25294012 0.77 POLB (0.44) TYK2POLBGAACYP1A2HIF1A
SCHEMBL25242417 0.76 POLB (0.40) TYK2POLBGAACYP1A2HIF1A
SCHEMBL25289237 0.76 GAA (0.39) TYK2POLBGAAPIK3C3JAK2
SCHEMBL25289232 0.76 TYK2 (0.61) TYK2
SCHEMBL25285692 0.75 TYK2 (0.59) TYK2POLBGAAJAK2

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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