SCHEMBL25242771

SCHEMBL25242771

Cc1cc(Nc2cc(Nc3ccc(Br)cc3N(C)S(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.50
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ TNNI3K Q59H18 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
SCHEMBL25250500 0.89 TYK2 (0.52) TYK2POLBGAAAKR1C3
SCHEMBL25243819 0.86 TYK2 (0.66) TYK2POLBGAAAKR1C3TNNI3K
SCHEMBL25241314 0.85 TYK2 (0.48) TYK2POLBGAAAKR1C3
SCHEMBL30475043 0.84 TYK2 (0.47) TYK2POLBGAAAKR1C3
SCHEMBL25243602 0.84 TYK2 (0.49) TYK2
SCHEMBL25285748 0.84 TYK2 (0.47) TYK2POLBGAAAKR1C3
SCHEMBL25246852 0.83 TYK2 (0.47) TYK2POLBGAAAKR1C3
SCHEMBL25292402 0.82 TYK2 (0.50) TYK2POLBGAAAKR1C3TNNI3K
SCHEMBL25244500 0.81 TYK2 (0.53) TYK2
SCHEMBL25249517 0.81 TYK2 (0.50) TYK2POLBGAAAKR1C3TNNI3K

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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