SCHEMBL17447243

SCHEMBL17447243

C=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2ccc3ncc(C#N)cc3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.68
▸ MAP4K1 Q92918 17/20 0.68

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
SCHEMBL17442743 0.92 KLKB1 (0.80) KLKB1MAP4K1
SCHEMBL18697167 0.87 KLKB1 (0.59) KLKB1MAP4K1
SCHEMBL17446986 0.83 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL16891591 0.83 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL16881149 0.82 KLKB1 (0.87) KLKB1MAP4K1
SCHEMBL17447288 0.81 KLKB1 (0.58) KLKB1MAP4K1
SCHEMBL21657168 0.81 KLKB1 (0.70) KLKB1MAP4K1
SCHEMBL16881373 0.81 KLKB1 (0.79) KLKB1MAP4K1
SCHEMBL16891517 0.81 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL16881031 0.81 KLKB1 (0.83) 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
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — WO disclosed
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