SCHEMBL2178524

SCHEMBL2178524

COc1cnc2cc(C(CC3CCOCC3)c3ccc(S(C)(=O)=O)cc3)[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.42
LRRK2 Q5S007 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
SCHEMBL2179383 0.91 GCK (0.41) GCKLRRK2
SCHEMBL2180004 0.84 GCK (0.48) GCKLRRK2
SCHEMBL1962606 0.83 GCK (0.49) GCK
SCHEMBL1960690 0.83 GCK (0.49) GCK
Hydrochloric Acid SCHEMBL1962343 0.79 GCK (0.51) GCK
SCHEMBL1959615 0.79 GCK (0.51) GCK
SCHEMBL1962105 0.79 GCK (0.51) GCK
SCHEMBL1958882 0.79 GCK (0.55) GCK
SCHEMBL1964350 0.79 GCK (0.63) GCK
SCHEMBL1961224 0.79 GCK (0.63) GCK

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
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO claimed
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO disclosed