SCHEMBL17442608

SCHEMBL17442608

COC(=O)c1ccnc(Cc2ccc3nc(C(=O)OC)c(Cl)cc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.47
▸ MAP4K1 Q92918 19/20 0.47

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
SCHEMBL18370920 0.89 KLKB1 (0.51) KLKB1MAP4K1
SCHEMBL17442554 0.83 KLKB1 (0.66) KLKB1MAP4K1
SCHEMBL18370186 0.81 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL17920376 0.80 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL18371217 0.80 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL17447281 0.80 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL18371382 0.79 KLKB1 (0.62) KLKB1MAP4K1
SCHEMBL18371079 0.79 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL18370104 0.79 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL18369660 0.78 KLKB1 (0.49) 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
EP-3169325-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2017-05-24 — — EP disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — WO disclosed
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