SCHEMBL25286983

SCHEMBL25286983

Cc1cc(Nc2cc(Nc3cnccc3N(C)S(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.50
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ PIK3C3 Q8NEB9 3/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ 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
SCHEMBL25243819 0.86 TYK2 (0.66) TYK2POLBGAAAKR1C3
SCHEMBL25249517 0.83 TYK2 (0.50) TYK2POLBGAAAKR1C3PIK3C3
SCHEMBL25250500 0.83 TYK2 (0.52) TYK2POLBGAAAKR1C3
SCHEMBL25242771 0.81 TYK2 (0.50) TYK2POLBGAAAKR1C3
SCHEMBL25249498 0.80 TYK2 (0.51) TYK2POLBGAAPIK3C3PDE4A
SCHEMBL25241440 0.79 TYK2 (0.57) TYK2POLBGAAAKR1C3PDE4A
SCHEMBL25241314 0.78 TYK2 (0.48) TYK2POLBGAAAKR1C3
SCHEMBL25285748 0.78 TYK2 (0.47) TYK2POLBGAAAKR1C3
SCHEMBL25243602 0.78 TYK2 (0.49) TYK2
SCHEMBL30475043 0.78 TYK2 (0.47) TYK2POLBGAAAKR1C3

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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