SCHEMBL6280440

SCHEMBL6280440

Cc1nc(CC(N)=O)sc1S(=O)(=O)Nc1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1.NC(=O)c1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 15/20 0.47
MTOR P42345 1/20 0.32

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
SCHEMBL6279236 0.87 PCK1 (0.42) PCK1MTOR
SCHEMBL4615524 0.86 PCK1 (0.48) PCK1
SCHEMBL3978815 0.84 MTOR (0.41) PCK1MTOR
SCHEMBL6277476 0.83 PCK1 (0.39) PCK1
SCHEMBL6450212 0.81 PCK1 (0.38) PCK1
Trifluoroacetic Acid SCHEMBL4614415 0.81 F11 (0.40) PCK1MTOR
SCHEMBL4615659 0.81 PCK1 (0.59) PCK1
SCHEMBL4614243 0.80 PCK1 (0.53) PCK1
SCHEMBL4612956 0.80 PCK1 (0.55) PCK1
SCHEMBL4615981 0.80 PCK1 (0.59) PCK1

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-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP claimed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO claimed