SCHEMBL17447316

SCHEMBL17447316

C=C(NCc1cnc(N)cc1C)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.60
▸ MAP4K1 Q92918 20/20 0.60

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
SCHEMBL16880516 0.90 KLKB1 (0.75) KLKB1MAP4K1
SCHEMBL17447302 0.88 KLKB1 (0.67) KLKB1MAP4K1
SCHEMBL18369491 0.87 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL17447305 0.84 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL17446859 0.81 KLKB1 (0.58) KLKB1MAP4K1
SCHEMBL16881150 0.81 KLKB1 (0.66) KLKB1MAP4K1
SCHEMBL16881523 0.79 KLKB1 (0.64) KLKB1MAP4K1
SCHEMBL17920387 0.79 KLKB1 (0.76) KLKB1MAP4K1
SCHEMBL16881340 0.78 KLKB1 (0.82) KLKB1MAP4K1
SCHEMBL17442568 0.77 KLKB1 (0.84) 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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