SCHEMBL25243733

SCHEMBL25243733

COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)cccc1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 15/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ AKR1C3 P42330 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PTK2 Q05397 1/20 0.32

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
SCHEMBL25245573 0.78 TYK2 (0.47) TYK2JAK1
SCHEMBL25288885 0.78 POLB (0.48) TYK2JAK1POLBGAAAKR1C3
SCHEMBL25242554 0.77 POLB (0.47) TYK2JAK1POLBGAA
SCHEMBL25244650 0.76 TYK2 (0.59) TYK2JAK1POLBGAA
SCHEMBL25288507 0.76 POLB (0.46) TYK2JAK1POLBGAAAKR1C3
SCHEMBL25292550 0.76 TYK2 (0.44) TYK2JAK1POLBGAA
SCHEMBL25246314 0.75 TYK2 (0.39) TYK2
SCHEMBL25288626 0.74 TYK2 (0.45) TYK2JAK1POLBGAA
SCHEMBL25239536 0.72 TYK2 (0.47) TYK2JAK1POLBGAAAKR1C3
SCHEMBL25293421 0.71 GAA (0.53) TYK2JAK1POLBGAA

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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