SCHEMBL25249994

SCHEMBL25249994

Cc1c(-c2cnc(Nc3cc(Nc4ccc(F)cn4)ncn3)c(S(C)(=O)=O)c2)cnn1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ BRAF P15056 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ MAPK10 P53779 1/20 0.35
▸ SLC34A1 Q06495 4/20 0.35

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
SCHEMBL25243202 0.86 SLC34A1 (0.35) TYK2JAK2JAK1JAK3KIT
SCHEMBL25241788 0.82 TYK2 (0.39) TYK2
SCHEMBL25282395 0.79 TYK2 (0.53) TYK2JAK2JAK1KIT
SCHEMBL25283606 0.75 TYK2 (0.34) TYK2JAK1SLC34A1
SCHEMBL25244416 0.74 TYK2 (0.39) TYK2
SCHEMBL25288932 0.73 TYK2 (0.38) TYK2JAK2JAK1KCNH2
SCHEMBL25241283 0.72 PIK3C3 (0.34) TYK2
SCHEMBL25282339 0.71 PIK3C3 (0.40) TYK2
SCHEMBL25241375 0.70 TYK2 (0.49) TYK2
SCHEMBL25287069 0.70 BACE1 (0.37) TYK2

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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