SCHEMBL2180465

SCHEMBL2180465

CS(=O)(=O)c1ccc(C(Cc2cc3cnc(CC(=O)O)nc3[nH]2)C2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.38
MAPK1 P28482 2/20 0.36
LRRK2 Q5S007 2/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL2177771 0.92 NAMPT (0.33) GCKMAPK1NAMPT
SCHEMBL2179066 0.84 EGLN2 (0.39) GCKNAMPT
SCHEMBL2180461 0.80 GCK (0.46) GCKLRRK2
SCHEMBL2180005 0.77 GCK (0.40) GCKLRRK2
SCHEMBL2178527 0.76 GCK (0.35) GCKMAPK1LRRK2
SCHEMBL2179386 0.75 GCK (0.35) GCKMAPK1LRRK2
SCHEMBL2177767 0.73 GCK (0.39) GCK
SCHEMBL2038418 0.71 KMT2A (0.38) GCKLRRK2NAMPT
SCHEMBL2044900 0.70 GCK (0.37) GCK
SCHEMBL2179064 0.66 GCK (0.44) 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 1 patent. 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 disclosed