SCHEMBL17963

SCHEMBL17963

CC(C)CN(C[C@@]1(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)CN(S(=O)(=O)c2cccnc2N)CCN1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
RORC P51449 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKX P51817 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCD Q05655 1/20 0.31
ROCK1 Q13464 1/20 0.31
PRKD1 Q15139 1/20 0.31

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
SCHEMBL17217 0.85 GCK (0.46) GCKCYP3A4CYP2D6
SCHEMBL16816 0.81 GCK (0.31) GCK
SCHEMBL17220 0.78 GCKR (0.44) GCKCYP3A4CYP2D6
SCHEMBL16613 0.76 GCK (0.47) GCKCYP3A4CYP2D6
SCHEMBL17307 0.73 GCK (0.39) GCKCYP2D6RORC
SCHEMBL23255 0.73 GCK (0.46) GCKCYP3A4CYP2D6
SCHEMBL17404 0.71 RORC (0.32) GCKRORC
SCHEMBL12090148 0.70 GCKR (0.35) GCKRORC
SCHEMBL17222 0.68 GCK (0.47) GCKCYP3A4CYP2D6
SCHEMBL17655 0.66 GCKR (0.30)

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-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed