SCHEMBL10275067

SCHEMBL10275067

Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(OCN)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.84

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
SCHEMBL554556 0.91 KLKB1 (1.00) KLKB1
SCHEMBL553895 0.91 KLKB1 (1.00) KLKB1
SCHEMBL553261 0.90 KLKB1 (1.00) KLKB1
SCHEMBL553471 0.90 KLKB1 (1.00) KLKB1
SCHEMBL1909557 0.89 KLKB1 (0.91) KLKB1
SCHEMBL554036 0.89 KLKB1 (1.00) KLKB1
SCHEMBL555007 0.88 KLKB1 (1.00) KLKB1
SCHEMBL554175 0.88 KLKB1 (1.00) KLKB1
SCHEMBL1909434 0.88 KLKB1 (0.85) KLKB1
SCHEMBL554953 0.88 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
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