SCHEMBL2177869

SCHEMBL2177869

O=S(=O)(c1ccc(C(OC2CCCC2)c2cc3nccnc3[nH]2)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.44
LNPEP Q9UIQ6 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL2180026 0.92 GCK (0.48) GCK
SCHEMBL2198311 0.86 GCK (0.60) GCKLNPEPPIK3C3
SCHEMBL2179209 0.84 GCK (0.45) GCK
SCHEMBL2196884 0.79 PIK3C3 (0.40) GCKLNPEPPIK3C3
SCHEMBL2178444 0.78 GCK (0.50) GCKLNPEP
SCHEMBL2196374 0.78 GCK (0.51) GCK
SCHEMBL2177573 0.76 GCK (0.43) GCK
SCHEMBL2198514 0.75 GCK (0.50) GCK
SCHEMBL2180542 0.74 GCK (0.45) GCK
SCHEMBL2280341 0.74 GCK (0.47) 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