SCHEMBL574903

SCHEMBL574903

Cc1cc(N)nc(C)c1CNC(=O)c1cnn(-c2csc(Nc3ccccc3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.75

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
SCHEMBL553435 0.86 KLKB1 (1.00) KLKB1
SCHEMBL554145 0.73 KLKB1 (1.00) KLKB1
SCHEMBL553363 0.73 KLKB1 (1.00) KLKB1
SCHEMBL554135 0.72 KLKB1 (1.00) KLKB1
SCHEMBL553795 0.72 KLKB1 (1.00) KLKB1
SCHEMBL553889 0.72 KLKB1 (1.00) KLKB1
SCHEMBL554555 0.71 KLKB1 (1.00) KLKB1
SCHEMBL553539 0.71 KLKB1 (1.00) KLKB1
SCHEMBL554896 0.70 KLKB1 (1.00) KLKB1
SCHEMBL554374 0.70 KLKB1 (0.73) 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-2601189-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 EP disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 WO disclosed