SCHEMBL25242554

SCHEMBL25242554

COc1cccc(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ EGFR P00533 3/20 0.46
▸ ERBB3 P21860 2/20 0.46
▸ TYK2 P29597 10/20 0.46
▸ JAK1 P23458 2/20 0.44
▸ TNNI3K Q59H18 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ TP53 P04637 1/20 0.40

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 0.89 POLB (0.48) POLBGAAEGFRERBB3TYK2
SCHEMBL25293421 0.89 GAA (0.53) POLBGAAEGFRERBB3TYK2
SCHEMBL25288507 0.87 POLB (0.46) POLBGAAEGFRERBB3TYK2
SCHEMBL25244650 0.87 TYK2 (0.59) POLBGAATYK2JAK1
SCHEMBL25292550 0.84 TYK2 (0.44) POLBGAAEGFRERBB3TYK2
SCHEMBL25288626 0.84 TYK2 (0.45) POLBGAAEGFRERBB3TYK2
SCHEMBL25283977 0.82 TYK2 (0.50) POLBGAATYK2JAK1
SCHEMBL25283961 0.81 EGFR (0.48) POLBGAAEGFRERBB3TYK2
SCHEMBL25286198 0.80 TYK2 (0.45) POLBGAAEGFRERBB3TYK2
SCHEMBL25284382 0.80 HPGD (0.51) GAAEGFRERBB3MEN1KMT2A

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