SCHEMBL23279715

SCHEMBL23279715

Cc1[nH]c(I)c2ccc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)cc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.78
▸ MAP4K1 Q92918 20/20 0.78

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
SCHEMBL17442775 0.91 KLKB1 (0.77) KLKB1MAP4K1
SCHEMBL18370149 0.85 KLKB1 (0.80) KLKB1MAP4K1
SCHEMBL17442863 0.84 KLKB1 (0.72) KLKB1MAP4K1
SCHEMBL18416809 0.83 KLKB1 (0.82) KLKB1MAP4K1
SCHEMBL16880964 0.83 KLKB1 (0.83) KLKB1MAP4K1
SCHEMBL18370047 0.83 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL18369622 0.83 KLKB1 (0.78) KLKB1MAP4K1
SCHEMBL17442793 0.82 KLKB1 (0.71) KLKB1MAP4K1
SCHEMBL18370273 0.81 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL17442776 0.81 KLKB1 (0.85) 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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