SCHEMBL574634

SCHEMBL574634

COc1cc(Cn2cc(C(=O)NCc3c(C)cc(NC(=O)O)nc3C)cn2)ccc1Cn1cccn1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.81

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
SCHEMBL553410 0.92 KLKB1 (0.75) KLKB1
SCHEMBL554357 0.90 KLKB1 (1.00) KLKB1
SCHEMBL27901383 0.80 KLKB1 (0.76) KLKB1
SCHEMBL27901423 0.80 KLKB1 (0.65) KLKB1
SCHEMBL574484 0.80 KLKB1 (0.80) KLKB1
SCHEMBL553252 0.79 KLKB1 (0.63) KLKB1
SCHEMBL554059 0.79 KLKB1 (1.00) KLKB1
SCHEMBL553147 0.77 KLKB1 (0.79) KLKB1
SCHEMBL553901 0.76 KLKB1 (0.62) KLKB1
SCHEMBL553814 0.76 KLKB1 (0.82) 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