SCHEMBL25285749

SCHEMBL25285749

COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)ncc(-c2cnn(C)c2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TTK P33981 2/20 0.35
▸ SLC34A1 Q06495 7/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL25242862 0.85 TTK (0.41) TYK2JAK1TTKSLC34A1POLB
SCHEMBL25283616 0.83 PIK3C3 (0.34) TYK2POLBGAA
SCHEMBL25292442 0.82 TTK (0.41) TYK2JAK1TTKLRRK2
SCHEMBL25286881 0.76 TTK (0.57) TTKLRRK2
SCHEMBL25289334 0.75 MAPT (0.31) TYK2JAK1TTK
SCHEMBL25283690 0.75 PIK3C3 (0.31) TTK
SCHEMBL25241788 0.75 TYK2 (0.39) TYK2
SCHEMBL25287069 0.74 BACE1 (0.37) TYK2
SCHEMBL25244450 0.73 TTK (0.41) TTKSLC34A1LRRK2
SCHEMBL25282403 0.72 GRM5 (0.43) 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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