SCHEMBL23279734

SCHEMBL23279734

Cc1ccc2nnc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)n2c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.86
▸ MAP4K1 Q92918 19/20 0.86

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
SCHEMBL17442753 0.93 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL17442841 0.83 KLKB1 (0.76) KLKB1MAP4K1
SCHEMBL17442709 0.80 KLKB1 (0.78) KLKB1MAP4K1
SCHEMBL17442755 0.80 KLKB1 (0.72) KLKB1MAP4K1
SCHEMBL18369647 0.80 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL18416809 0.79 KLKB1 (0.82) KLKB1MAP4K1
SCHEMBL17442746 0.78 KLKB1 (0.71) KLKB1MAP4K1
SCHEMBL17442512 0.78 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL16881340 0.78 KLKB1 (0.82) KLKB1MAP4K1
SCHEMBL17920386 0.78 KLKB1 (0.79) KLKB1MAP4K1

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-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
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