SCHEMBL16628826

SCHEMBL16628826

Cc1ccc2cccc(Cc3nc(C(=O)NCc4c(C)cc(N)nc4C)co3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.69
MAP4K1 Q92918 1/20 0.46

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
SCHEMBL553809 0.81 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL554134 0.81 KLKB1 (1.00) KLKB1
SCHEMBL16628781 0.78 KLKB1 (0.77) KLKB1
SCHEMBL554493 0.76 KLKB1 (1.00) KLKB1
SCHEMBL16628782 0.75 KLKB1 (0.75) KLKB1
SCHEMBL554769 0.72 KLKB1 (1.00) KLKB1
SCHEMBL554521 0.72 KLKB1 (1.00) KLKB1
SCHEMBL23269752 0.72 KLKB1 (0.70) KLKB1MAP4K1
SCHEMBL19780335 0.72 KLKB1 (0.78) KLKB1MAP4K1
SCHEMBL16628823 0.70 KLKB1 (0.70) 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