SCHEMBL25286901

SCHEMBL25286901

COc1cc(C2CCOC2)ccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.38
▸ TYK2 P29597 8/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ ALK Q9UM73 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PRKDC P78527 1/20 0.34

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
SCHEMBL25240286 0.82 TYK2 (0.47) TYK2
SCHEMBL25284382 0.78 HPGD (0.51) EGFRGAA
SCHEMBL25238174 0.77 NPC1 (0.44) TTKEGFRPOLBGAA
SCHEMBL25283961 0.77 EGFR (0.48) TTKTYK2JAK1EGFRPOLB
SCHEMBL25248456 0.77 TYK2 (0.51) TYK2
SCHEMBL25292409 0.76 TYK2 (0.52) TYK2
SCHEMBL25293421 0.76 GAA (0.53) TYK2JAK2JAK1JAK3EGFR
SCHEMBL25246078 0.75 TTK (0.37) TTKEGFRPOLBGAA
SCHEMBL25289693 0.74 S1PR1 (0.39) TTK
SCHEMBL25242828 0.74 LRRK2 (0.47) TTKEGFRPOLBGAA

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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