SCHEMBL25290634

SCHEMBL25290634

Cc1c(-c2cnc(Nc3cc(NC(=O)C4CC4)ncn3)c(N(C)S(C)(=O)=O)c2)cnn1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ EIF4E P06730 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL25284264 0.90 MAP4K1 (0.47) TYK2PIK3C3ABL1
SCHEMBL25282395 0.87 TYK2 (0.53) TYK2PIK3C3CCNT1CDK9EIF4E
SCHEMBL25241283 0.85 PIK3C3 (0.34) TYK2PIK3C3
SCHEMBL25244564 0.81 CCNT1 (0.42) TYK2CCNT1CDK9EIF4EMKNK1
SCHEMBL25288932 0.81 TYK2 (0.38) TYK2PIK3C3
SCHEMBL25242170 0.81 TYK2 (0.39) TYK2PIK3C3
SCHEMBL25283606 0.81 TYK2 (0.34) TYK2PIK3C3
SCHEMBL25243202 0.80 SLC34A1 (0.35) TYK2PIK3C3
SCHEMBL25240241 0.75 TYK2 (0.34) TYK2PIK3C3
SCHEMBL20091786 0.72 TYK2 (0.62) 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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