SCHEMBL4302153

SCHEMBL4302153

Cc1nc(N)ccc1CNC(=O)[C@H](C(N)=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.50
KLKB1 P03952 1/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41

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
SCHEMBL4311692 1.00 F2 (0.50) F2KLKB1PRSS1PRSS2PRSS3
SCHEMBL4308027 0.86 F2 (0.51) F2KLKB1
SCHEMBL4306897 0.86 F2 (0.51) F2KLKB1
SCHEMBL4308363 0.84 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL4313165 0.83 F2 (0.50) F2KLKB1PRSS1PRSS2PRSS3
SCHEMBL3154741 0.79 F2 (0.58) F2KLKB1
SCHEMBL3149590 0.79 F2 (0.58) F2KLKB1
SCHEMBL1432496 0.79 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL4310677 0.79 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL4308746 0.77 NAMPT (0.41)

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-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed