SCHEMBL25292550

SCHEMBL25292550

COc1c(C#N)cccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ EGFR P00533 1/20 0.36
▸ ERBB3 P21860 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CASP7 P55210 1/20 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
SCHEMBL25288885 0.85 POLB (0.48) TYK2JAK1POLBGAAEGFR
SCHEMBL25242554 0.84 POLB (0.47) TYK2JAK1POLBGAAEGFR
SCHEMBL25288507 0.83 POLB (0.46) TYK2JAK1POLBGAAEGFR
SCHEMBL25244650 0.83 TYK2 (0.59) TYK2JAK1POLBGAA
SCHEMBL25288626 0.80 TYK2 (0.45) TYK2JAK1POLBGAAEGFR
SCHEMBL25283977 0.78 TYK2 (0.50) TYK2JAK1POLBGAA
SCHEMBL25242097 0.78 TYK2 (0.52) TYK2JAK1POLBGAA
SCHEMBL25293421 0.78 GAA (0.53) TYK2JAK1POLBGAAEGFR
SCHEMBL25239536 0.77 TYK2 (0.47) TYK2JAK1POLBGAA
SCHEMBL25286198 0.76 TYK2 (0.45) TYK2JAK1POLBGAAEGFR

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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