SCHEMBL23279859

SCHEMBL23279859

CSc1cc(Cc2cc(C(=O)NCc3c(C(F)(F)F)cc(N)nc3C)ccn2)cc2cc(F)cnc12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.63
▸ MAP4K1 Q92918 18/20 0.63

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
SCHEMBL23279687 0.93 KLKB1 (0.64) KLKB1MAP4K1
SCHEMBL23279688 0.91 KLKB1 (0.61) KLKB1MAP4K1
SCHEMBL23279766 0.88 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL17447221 0.88 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL23279853 0.88 KLKB1 (0.49) KLKB1MAP4K1
SCHEMBL23279753 0.88 KLKB1 (0.53) KLKB1MAP4K1
SCHEMBL16880779 0.86 KLKB1 (0.84) KLKB1MAP4K1
SCHEMBL23279754 0.83 KLKB1 (0.53) KLKB1MAP4K1
SCHEMBL23279685 0.82 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL23279665 0.82 KLKB1 (0.52) 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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