SCHEMBL25245573

SCHEMBL25245573

COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)cccc1-c1ncn(CC2CCCCO2)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL25245254 0.98 TYK2 (0.48) TYK2JAK1
SCHEMBL25293502 0.88 TYK2 (0.48) TYK2JAK1
SCHEMBL25286935 0.87 TYK2 (0.46) TYK2JAK1MMP13
SCHEMBL25288583 0.86 TYK2 (0.47) TYK2JAK1
SCHEMBL25247928 0.86 TYK2 (0.49) TYK2JAK1
SCHEMBL25241803 0.84 TYK2 (0.55) TYK2JAK1
SCHEMBL25245561 0.83 TYK2 (0.50) TYK2JAK1
SCHEMBL25289234 0.81 TYK2 (0.57) TYK2JAK1
SCHEMBL25289314 0.79 TYK2 (0.69) TYK2JAK1
SCHEMBL25292444 0.79 TYK2 (0.52) TYK2JAK1

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
Send feedback