SCHEMBL29879069

SCHEMBL29879069

Cc1cc(NCc2cn3cc(C4CC4)ccc3n2)cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 10/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ METTL3 Q86U44 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LRRK2 Q5S007 4/20 0.38

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
SCHEMBL24739954 1.00 KLKB1 (0.42) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL29136951 1.00 KLKB1 (0.42) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL29136948 1.00 KLKB1 (0.42) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL29879552 0.92 DGAT1 (0.42) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL24738588 0.92 DGAT1 (0.42) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL29137013 0.92 DGAT1 (0.42) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL29137014 0.92 DGAT1 (0.42) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL24737849 0.90 KLKB1 (0.41) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL29136869 0.90 KLKB1 (0.41) KLKB1DGAT1METTL3ALDH1A1HTT
SCHEMBL29136871 0.90 KLKB1 (0.41) KLKB1DGAT1METTL3ALDH1A1HTT

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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