SCHEMBL25240979

SCHEMBL25240979

CN=S(C)(=O)c1c(C)cccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TNNI3K Q59H18 1/20 0.41
▸ AKR1C3 P42330 1/20 0.39
▸ BACE1 P56817 2/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36

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 0.85 TYK2 (0.52) TYK2POLBGAATNNI3KAKR1C3
SCHEMBL25285692 0.78 TYK2 (0.59) TYK2POLBGAATNNI3KJAK1
SCHEMBL25249691 0.77 TYK2 (0.42) TYK2POLBGAA
SCHEMBL25289232 0.76 TYK2 (0.61) TYK2
SCHEMBL25288885 0.75 POLB (0.48) TYK2POLBGAATNNI3KAKR1C3
SCHEMBL25243670 0.75 POLB (0.48) TYK2POLBGAATNNI3KAKR1C3
SCHEMBL25242779 0.75 POLB (0.48) TYK2POLBGAATNNI3KAKR1C3
SCHEMBL25243819 0.75 TYK2 (0.66) TYK2POLBGAATNNI3KAKR1C3
SCHEMBL25289262 0.74 TYK2 (0.47) TYK2POLBGAATNNI3KAKR1C3
SCHEMBL25289237 0.73 GAA (0.39) TYK2POLBGAATNNI3KAKR1C3

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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