SCHEMBL20713734

SCHEMBL20713734

Cc1cc(N)nc(C)c1CNC(=O)c1csc(C2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.79
GFER P55789 1/20 0.42

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
SCHEMBL20713884 0.93 KLKB1 (0.69) KLKB1GFER
SCHEMBL20705170 0.88 KLKB1 (1.00) KLKB1
SCHEMBL20713890 0.87 KLKB1 (0.60) KLKB1GFER
SCHEMBL20713747 0.83 KLKB1 (0.77) KLKB1GFER
SCHEMBL20713753 0.82 KLKB1 (0.62) KLKB1GFER
SCHEMBL20705190 0.81 KLKB1 (0.87) KLKB1
SCHEMBL20713648 0.81 KLKB1 (0.64) KLKB1GFER
SCHEMBL20713763 0.81 KLKB1 (0.64) KLKB1GFER
SCHEMBL20713772 0.81 KLKB1 (0.64) KLKB1
SCHEMBL20705067 0.78 KLKB1 (0.59) KLKB1GFER

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-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed