SCHEMBL17447275

SCHEMBL17447275

C=C(NCc1ccc(N)nc1C)c1ccnc(Cc2cc(C#N)c3ncc(Cl)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
SCHEMBL17442550 0.91 KLKB1 (0.81) KLKB1MAP4K1
SCHEMBL17447293 0.89 KLKB1 (0.66) KLKB1MAP4K1
SCHEMBL18370120 0.87 KLKB1 (0.75) KLKB1MAP4K1
SCHEMBL17447302 0.85 KLKB1 (0.67) KLKB1MAP4K1
SCHEMBL21657167 0.82 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL17447327 0.82 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL17442538 0.81 KLKB1 (0.83) KLKB1MAP4K1
SCHEMBL18371387 0.81 KLKB1 (0.83) KLKB1MAP4K1
SCHEMBL17442527 0.81 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL17446864 0.81 KLKB1 (0.56) 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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