SCHEMBL16628793

SCHEMBL16628793

Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3nccc3C)cc2)nn1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.79

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
SCHEMBL553367 0.90 KLKB1 (0.71) KLKB1
SCHEMBL554442 0.88 KLKB1 (1.00) KLKB1
SCHEMBL27901372 0.88 KLKB1 (0.66) KLKB1
SCHEMBL27918957 0.88 KLKB1 (0.66) KLKB1
SCHEMBL27901374 0.86 KLKB1 (0.79) KLKB1
SCHEMBL12465561 0.81 KLKB1 (0.79) KLKB1
SCHEMBL12465569 0.78 KLKB1 (0.79) KLKB1
SCHEMBL12465563 0.78 KLKB1 (0.79) KLKB1
SCHEMBL554597 0.77 KLKB1 (0.58) KLKB1
SCHEMBL554856 0.77 KLKB1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed