SCHEMBL29957563

SCHEMBL29957563

CCOC(=O)c1nc(NCc2c(C)cc(C(=N)N)cc2C)cc(OCc2cn3cc(C4CC4)ccc3n2)n1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.38
▸ METTL3 Q86U44 1/20 0.35

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
SCHEMBL27033679 1.00 KLKB1 (0.38) KLKB1METTL3
Formic Acid SCHEMBL27033872 0.97 KLKB1 (0.36) KLKB1METTL3
SCHEMBL29958191 0.94 KLKB1 (0.38) KLKB1METTL3
SCHEMBL27033449 0.94 KLKB1 (0.38) KLKB1METTL3
SCHEMBL23088203 0.93 KLKB1 (0.39) KLKB1METTL3
SCHEMBL29958090 0.92 KLKB1 (0.38) KLKB1METTL3
SCHEMBL27033437 0.92 KLKB1 (0.38) KLKB1METTL3
SCHEMBL29957843 0.91 KLKB1 (0.37) KLKB1METTL3
SCHEMBL27033875 0.91 KLKB1 (0.37) KLKB1METTL3
Formic Acid SCHEMBL27033662 0.90 KLKB1 (0.37) 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 2 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
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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