SCHEMBL25286198

SCHEMBL25286198

COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)ccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.45
▸ JAK1 P23458 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ EGFR P00533 2/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 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
SCHEMBL25244650 0.86 TYK2 (0.59) TYK2JAK1POLBGAAMAPT
SCHEMBL25288885 0.81 POLB (0.48) TYK2JAK1POLBGAAEGFR
SCHEMBL25251672 0.81 TYK2 (0.51) TYK2JAK1
SCHEMBL25242554 0.80 POLB (0.47) TYK2JAK1JAK2POLBGAA
SCHEMBL25283961 0.80 EGFR (0.48) TYK2JAK1POLBGAAEGFR
SCHEMBL25288507 0.79 POLB (0.46) TYK2JAK1POLBGAAEGFR
SCHEMBL25288626 0.79 TYK2 (0.45) TYK2JAK1JAK2POLBGAA
SCHEMBL25283977 0.78 TYK2 (0.50) TYK2JAK1POLBGAA
SCHEMBL25284382 0.76 HPGD (0.51) GAAEGFRERBB3MAPTMEN1
SCHEMBL25293421 0.76 GAA (0.53) TYK2JAK1JAK2POLBGAA

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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