SCHEMBL16891508

SCHEMBL16891508

COC(=O)c1ccnc(Cc2cnc3cc(Cl)ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.46
▸ MAP4K1 Q92918 18/20 0.46
▸ KDM5A P29375 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42

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
SCHEMBL17442680 0.86 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL21632183 0.85 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL18370104 0.84 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL17442554 0.82 KLKB1 (0.66) KLKB1MAP4K1
SCHEMBL18370186 0.80 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL18371217 0.79 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL17442592 0.78 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL18369486 0.77 KLKB1 (0.49) KLKB1MAP4K1
SCHEMBL17442578 0.77 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL18369659 0.77 KLKB1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 — — CN disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
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