SCHEMBL24863398

SCHEMBL24863398

CCc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4cc(F)ccc4=O)c(F)c3)nc2C2COC2)c1F

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.52

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
SCHEMBL24863526 0.91 KLKB1 (0.64) KLKB1
SCHEMBL25660355 0.85 KLKB1 (0.62) KLKB1
SCHEMBL24863590 0.83 KLKB1 (0.75) KLKB1
SCHEMBL24863503 0.83 KLKB1 (0.64) KLKB1
SCHEMBL25660357 0.82 KLKB1 (0.42) KLKB1
SCHEMBL24863510 0.81 KLKB1 (0.38) KLKB1
SCHEMBL24863509 0.80 KLKB1 (0.38) KLKB1
SCHEMBL25659903 0.79 KLKB1 (0.64) KLKB1
SCHEMBL25659916 0.76 KLKB1 (0.70) KLKB1
SCHEMBL25660016 0.75 KLKB1 (0.41) KLKB1

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
EP-4116299-A1 HETEROCYCLIC COMPOUND Medshine Discovery Inc. (CN) 2023-01-11 — — EP disclosed
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