SCHEMBL18369491

SCHEMBL18369491

C=C(NCc1c(C)cc(N)nc1C)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.68
▸ MAP4K1 Q92918 18/20 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
SCHEMBL17442568 0.90 KLKB1 (0.84) KLKB1MAP4K1
SCHEMBL18367505 0.88 KLKB1 (0.64) KLKB1MAP4K1
SCHEMBL18369480 0.87 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL17447302 0.87 KLKB1 (0.67) KLKB1MAP4K1
SCHEMBL17447316 0.87 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL17446859 0.85 KLKB1 (0.58) KLKB1MAP4K1
SCHEMBL17447313 0.84 KLKB1 (0.84) KLKB1MAP4K1
SCHEMBL17447295 0.83 KLKB1 (0.58) KLKB1MAP4K1
SCHEMBL16891493 0.83 KLKB1 (0.64) KLKB1MAP4K1
SCHEMBL17442616 0.82 KLKB1 (0.74) 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-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 — — WO disclosed
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