SCHEMBL25249498

SCHEMBL25249498

Cc1cc(Nc2cc(Nc3ncccc3N(C)S(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.51
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PTK2 Q05397 2/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ AGO2 Q9UKV8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PIK3C3 Q8NEB9 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
SCHEMBL25286413 0.93 TYK2 (0.44) TYK2POLBGAAPTK2GRM5
SCHEMBL25243819 0.84 TYK2 (0.66) TYK2POLBGAA
SCHEMBL25242188 0.83 TYK2 (0.45) TYK2POLBGAAGRM5PDE4A
SCHEMBL25241751 0.83 TYK2 (0.44) TYK2POLBGAAPTK2PDE4A
SCHEMBL25249691 0.80 TYK2 (0.42) TYK2POLBGAAGRM5PDE4A
SCHEMBL25286983 0.80 TYK2 (0.50) TYK2POLBGAAPDE4AAGO2
SCHEMBL25250500 0.79 TYK2 (0.52) TYK2POLBGAA
SCHEMBL25241440 0.77 TYK2 (0.57) TYK2POLBGAAPDE4AAGO2
SCHEMBL25249517 0.77 TYK2 (0.50) TYK2POLBGAAPIK3C3
SCHEMBL25242771 0.77 TYK2 (0.50) TYK2POLBGAA

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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