SCHEMBL29958504

SCHEMBL29958504

Clc1ccnc(NCc2cn3cc(C4CC4)ccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.44
▸ METTL3 Q86U44 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL27033535 1.00 KLKB1 (0.44) KLKB1METTL3KDM4ETP53
SCHEMBL24739070 0.84 KLKB1 (0.44) KLKB1METTL3
SCHEMBL29136738 0.84 METTL3 (0.43) KLKB1METTL3KDM4ETP53
SCHEMBL29879114 0.80 METTL3 (0.44) KLKB1METTL3KDM4ETP53
SCHEMBL24729466 0.80 METTL3 (0.44) KLKB1METTL3KDM4ETP53
SCHEMBL30997765 0.79 METTL3 (0.43) KLKB1METTL3
SCHEMBL24737872 0.78 KLKB1 (0.43) KLKB1METTL3KDM4ETP53
SCHEMBL29879253 0.78 KLKB1 (0.43) KLKB1METTL3KDM4ETP53
SCHEMBL24729468 0.77 METTL3 (0.44) KLKB1METTL3
SCHEMBL24729594 0.77 METTL3 (0.44) KLKB1METTL3TP53

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-4308228-A1 PLASMA KALLIKREIN INHIBITORS 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-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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