SCHEMBL29879447

SCHEMBL29879447

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1)[C@H]1C[C@@]12CCc1ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.38
▸ METTL3 Q86U44 1/20 0.36

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
SCHEMBL29302927 1.00 KLKB1 (0.38) KLKB1METTL3
SCHEMBL29302921 0.90 KLKB1 (0.40) KLKB1METTL3
SCHEMBL24738429 0.83 KLKB1 (0.39) KLKB1METTL3
SCHEMBL29879340 0.83 KLKB1 (0.39) KLKB1METTL3
SCHEMBL29940293 0.82 KLKB1 (0.32) KLKB1
SCHEMBL29302580 0.82 KLKB1 (0.32) KLKB1
SCHEMBL29958278 0.82 KLKB1 (0.40) KLKB1METTL3
SCHEMBL27033957 0.82 KLKB1 (0.40) KLKB1METTL3
SCHEMBL24737728 0.80 ACVRL1 (0.48) KLKB1METTL3
SCHEMBL27033738 0.80 KLKB1 (0.43) KLKB1METTL3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
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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