SCHEMBL29879140

SCHEMBL29879140

O=C1CCCN1c1cc(C2CC2)cn2cc(CNc3cc(Cl)ncn3)nc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.33
▸ KLKB1 P03952 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL24737697 1.00 BTK (0.33) BTKKLKB1MEN1KMT2A
SCHEMBL24737836 0.88 BTK (0.32) BTKKLKB1
SCHEMBL24737713 0.87 KLKB1 (0.30) KLKB1
SCHEMBL30997833 0.87 KLKB1 (0.30) KLKB1
SCHEMBL29136873 0.86 KLKB1 (0.31) KLKB1
SCHEMBL29879417 0.86 KLKB1 (0.31) KLKB1
SCHEMBL24737563 0.85 CYP17A1 (0.34) KLKB1
SCHEMBL30997781 0.85 CYP17A1 (0.34) KLKB1
SCHEMBL24738263 0.85 KLKB1 (0.35) BTKKLKB1
SCHEMBL24737664 0.85 FPR1 (0.31) 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 6 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-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 — — CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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