SCHEMBL16628823

SCHEMBL16628823

Cc1ccc2cccc(Cn3cc(C(=O)NCc4c(Cl)cc(N)nc4C)nn3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.70

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
SCHEMBL16628781 0.92 KLKB1 (0.77) KLKB1
SCHEMBL554009 0.82 KLKB1 (1.00) KLKB1
SCHEMBL553005 0.78 KLKB1 (1.00) KLKB1
SCHEMBL16628807 0.78 KLKB1 (0.72) KLKB1
SCHEMBL16628782 0.76 KLKB1 (0.75) KLKB1
SCHEMBL553987 0.75 KLKB1 (1.00) KLKB1
SCHEMBL553941 0.74 KLKB1 (1.00) KLKB1
SCHEMBL554413 0.73 KLKB1 (1.00) KLKB1
SCHEMBL554350 0.73 KLKB1 (1.00) KLKB1
SCHEMBL553934 0.72 KLKB1 (1.00) 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 claimed