SCHEMBL29879209

SCHEMBL29879209

CN1C(=O)CN(c2cc(C3CC3)cn3cc(CNc4cc(Cl)ncc4N)nc23)C1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.32

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
SCHEMBL24740093 1.00 KLKB1 (0.32) KLKB1
SCHEMBL29137076 0.88 IGF1R (0.31) KLKB1
SCHEMBL29302913 0.86 KLKB1 (0.31) KLKB1
SCHEMBL30997756 0.86 KLKB1 (0.31) KLKB1
SCHEMBL29879417 0.84 KLKB1 (0.31) KLKB1
SCHEMBL29136873 0.84 KLKB1 (0.31) KLKB1
SCHEMBL24738457 0.82 RXRA (0.33) KLKB1
SCHEMBL24738057 0.81 KLKB1 (0.32) KLKB1
SCHEMBL24737743 0.81 KLKB1 (0.33) KLKB1
SCHEMBL29878850 0.81 KLKB1 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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