SCHEMBL16628865

SCHEMBL16628865

Cc1cc([AsH2])nc(C)c1CNC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)cn1

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
SCHEMBL554310 0.90 KLKB1 (1.00) KLKB1
SCHEMBL554309 0.81 KLKB1 (1.00) KLKB1
SCHEMBL553295 0.74 KLKB1 (1.00) KLKB1
SCHEMBL28802235 0.73 KLKB1 (0.79) KLKB1
SCHEMBL552561 0.73 KLKB1 (1.00) KLKB1
SCHEMBL555074 0.72 KLKB1 (1.00) KLKB1
SCHEMBL554454 0.72 KLKB1 (1.00) KLKB1
SCHEMBL20531670 0.71 KLKB1 (0.60) KLKB1
SCHEMBL19780601 0.71 KLKB1 (0.73) KLKB1
SCHEMBL554599 0.70 KLKB1 (0.71) 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