SCHEMBL574517

SCHEMBL574517

Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1nc(Cc2ccccc2)n(C)n1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.77

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
SCHEMBL554109 0.89 KLKB1 (0.68) KLKB1
SCHEMBL553170 0.87 KLKB1 (1.00) KLKB1
SCHEMBL15141946 0.72 TP53 (0.59) KLKB1
SCHEMBL574005 0.70 KLKB1 (0.42) KLKB1
SCHEMBL553847 0.70 KLKB1 (0.53) KLKB1
SCHEMBL17598976 0.69 ADORA3 (0.38) KLKB1
SCHEMBL20531588 0.68 KLKB1 (0.41) KLKB1
SCHEMBL23337069 0.68 KLKB1 (0.54) KLKB1
SCHEMBL27901374 0.68 KLKB1 (0.79) KLKB1
SCHEMBL553888 0.67 KLKB1 (0.42) 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