SCHEMBL17447313

SCHEMBL17447313

C=C(NCc1c(C)cc(N)nc1C)c1ccnc(Cc2cnc3ccc(S(C)(=O)=O)cc3c2)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.84
▸ MAP4K1 Q92918 19/20 0.84

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
SCHEMBL17442569 0.91 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL21691129 0.85 KLKB1 (0.75) KLKB1MAP4K1
SCHEMBL18369491 0.84 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL18367505 0.82 KLKB1 (0.64) KLKB1MAP4K1
SCHEMBL16880682 0.80 KLKB1 (0.80) KLKB1MAP4K1
SCHEMBL16881244 0.79 KLKB1 (0.78) KLKB1MAP4K1
SCHEMBL18371378 0.78 KLKB1 (0.83) KLKB1MAP4K1
SCHEMBL18371168 0.78 KLKB1 (0.83) KLKB1MAP4K1
SCHEMBL16891493 0.77 KLKB1 (0.64) KLKB1MAP4K1
SCHEMBL16880690 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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