SCHEMBL29958064

SCHEMBL29958064

Cc1cc(C#N)cc(C)c1CNc1cc(NCc2cn3cc(C4CC4)ccc3n2)cnn1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.37
▸ METTL3 Q86U44 3/20 0.36
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL27033452 1.00 KLKB1 (0.37) KLKB1METTL3LRRK2
SCHEMBL27033348 0.85 KLKB1 (0.40) KLKB1METTL3LRRK2
SCHEMBL29957933 0.85 KLKB1 (0.40) KLKB1METTL3LRRK2
SCHEMBL29958056 0.85 KLKB1 (0.40) KLKB1METTL3
SCHEMBL27033671 0.85 KLKB1 (0.40) KLKB1METTL3
Formic Acid SCHEMBL29958259 0.82 KLKB1 (0.39) KLKB1METTL3
Formic Acid SCHEMBL27033579 0.82 KLKB1 (0.39) KLKB1METTL3
SCHEMBL29136929 0.80 METTL3 (0.41) KLKB1METTL3
SCHEMBL29958373 0.78 KLKB1 (0.35) KLKB1METTL3
SCHEMBL27033856 0.78 KLKB1 (0.35) 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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