SCHEMBL23279853

SCHEMBL23279853

CSc1cc(Cc2cc(C(=O)NCc3cc(C(F)(F)F)c(N)nc3C)ccn2)cc2cc(F)cnc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.49
▸ MAP4K1 Q92918 20/20 0.49

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
SCHEMBL23279757 0.93 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL23279665 0.91 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL23279670 0.90 KLKB1 (0.62) KLKB1MAP4K1
SCHEMBL17447277 0.88 KLKB1 (0.49) KLKB1MAP4K1
SCHEMBL23279859 0.88 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL23279755 0.88 KLKB1 (0.62) KLKB1MAP4K1
SCHEMBL16880463 0.86 KLKB1 (0.67) KLKB1MAP4K1
SCHEMBL23279843 0.85 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL23279685 0.84 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL23279766 0.84 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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