SCHEMBL25285692

SCHEMBL25285692

Cc1cc(Nc2cc(Nc3ccccc3S(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 18/20 0.59
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
JAK2 O60674 4/20 0.44
JAK1 P23458 4/20 0.44
KCNH2 Q12809 3/20 0.44
KIT P10721 1/20 0.42
BRAF P15056 1/20 0.42
TNNI3K Q59H18 1/20 0.42
JAK3 P52333 1/20 0.41

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
SCHEMBL25243614 0.89 TYK2 (0.52) TYK2POLBGAATNNI3K
SCHEMBL25242188 0.83 TYK2 (0.45) TYK2POLBGAAJAK1TNNI3K
SCHEMBL25242499 0.82 TYK2 (0.47) TYK2POLBGAA
SCHEMBL31300246 0.82 TYK2 (0.53) TYK2POLBGAAJAK2JAK1
SCHEMBL25242779 0.82 POLB (0.48) TYK2POLBGAATNNI3K
SCHEMBL25243670 0.82 POLB (0.48) TYK2POLBGAATNNI3K
SCHEMBL25243819 0.82 TYK2 (0.66) TYK2POLBGAATNNI3K
SCHEMBL31247722 0.80 TYK2 (0.63) TYK2JAK2JAK1KCNH2KIT
SCHEMBL25241440 0.80 TYK2 (0.57) TYK2POLBGAATNNI3K
SCHEMBL31247606 0.78 TYK2 (0.50) TYK2POLBGAAJAK2JAK3

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