SCHEMBL17447295

SCHEMBL17447295

C=C(NCc1c(C)cc(N)nc1C)c1ccnc(Cc2cc(C(=O)OC)c3ncc(Cl)cc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.58
▸ MAP4K1 Q92918 18/20 0.58

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
SCHEMBL17442615 0.92 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL18369480 0.89 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL17442558 0.85 KLKB1 (0.79) KLKB1MAP4K1
SCHEMBL18368869 0.85 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL17442802 0.85 KLKB1 (0.69) KLKB1MAP4K1
SCHEMBL18369491 0.83 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL17442613 0.83 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL17442727 0.83 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL18369748 0.83 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL17447305 0.81 KLKB1 (0.68) 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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