SCHEMBL3983096

SCHEMBL3983096

NCc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 20/20 0.87

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
SCHEMBL3983384 0.94 PCK1 (0.88) PCK1
SCHEMBL3978767 0.93 PCK1 (1.00) PCK1
SCHEMBL3981765 0.90 PCK1 (0.95) PCK1
SCHEMBL3980864 0.90 PCK1 (0.81) PCK1
SCHEMBL3978817 0.90 PCK1 (0.81) PCK1
SCHEMBL6443781 0.90 PCK1 (0.81) PCK1
SCHEMBL3977016 0.90 PCK1 (0.83) PCK1
SCHEMBL3979611 0.89 PCK1 (0.70) PCK1
SCHEMBL4614586 0.89 PCK1 (0.82) PCK1
SCHEMBL3980735 0.87 PCK1 (0.80) 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-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP claimed
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP claimed