SCHEMBL20705290

SCHEMBL20705290

Nc1nccc2cc(CCNC(=O)c3csc([C@H]4C[C@@H](N)CN4C(=O)c4cn5cc(Cl)ccc5n4)n3)ccc12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.76

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
SCHEMBL29391737 1.00 KLKB1 (0.76) KLKB1
SCHEMBL20705090 1.00 KLKB1 (0.76) KLKB1
SCHEMBL20705083 0.93 KLKB1 (0.75) KLKB1
SCHEMBL29393974 0.93 KLKB1 (0.75) KLKB1
SCHEMBL20713749 0.89 KLKB1 (0.59) KLKB1
SCHEMBL20705131 0.86 KLKB1 (1.00) KLKB1
SCHEMBL20705109 0.84 KLKB1 (0.84) KLKB1
SCHEMBL20705201 0.83 KLKB1 (0.77) KLKB1
SCHEMBL29394008 0.83 KLKB1 (0.77) KLKB1
SCHEMBL20705259 0.82 KLKB1 (0.83) KLKB1

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
EP-3661922-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Dyax Corp. (US) 2020-06-10 EP disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed