SCHEMBL25289334

SCHEMBL25289334

Cc1cc(Nc2cc(Nc3ncc(-c4cnn(C)c4C)cc3P(C)(C)=O)ncn2)nc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ PIK3C3 Q8NEB9 2/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ TTK P33981 1/20 0.30

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
SCHEMBL25241788 0.83 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25292442 0.83 TTK (0.41) MAPTJAK1TYK2TTK
SCHEMBL25287069 0.81 BACE1 (0.37) PIK3C3TYK2
SCHEMBL25283690 0.81 PIK3C3 (0.31) PIK3C3TTK
SCHEMBL25242170 0.81 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25244416 0.80 TYK2 (0.39) PIK3C3TYK2
SCHEMBL25244564 0.80 CCNT1 (0.42) TYK2
SCHEMBL25240241 0.79 TYK2 (0.34) PIK3C3TYK2
SCHEMBL25283616 0.76 PIK3C3 (0.34) PIK3C3TYK2
SCHEMBL25242937 0.75 TYK2 (0.35) TYK2

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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