SCHEMBL29957965

SCHEMBL29957965

CCOC(=O)C(C)(C)Cc1nc(NCc2c(C)cc(C#N)cc2C)cc(OCc2cn3cc(C4CC4)ccc3n2)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.36
▸ METTL3 Q86U44 2/20 0.33
▸ FASN P49327 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32

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
SCHEMBL27033970 1.00 KLKB1 (0.36) KLKB1METTL3FASNLRRK2
SCHEMBL27033511 0.89 KLKB1 (0.37) KLKB1METTL3
SCHEMBL29957883 0.89 KLKB1 (0.37) KLKB1METTL3
SCHEMBL29958146 0.89 KLKB1 (0.37) KLKB1METTL3FASNLRRK2
SCHEMBL27033983 0.89 KLKB1 (0.37) KLKB1METTL3FASNLRRK2
Formic Acid SCHEMBL27033642 0.86 KLKB1 (0.35) KLKB1METTL3
SCHEMBL29174288 0.85 KLKB1 (0.38) KLKB1METTL3
SCHEMBL29958066 0.85 KLKB1 (0.36) KLKB1METTL3
SCHEMBL27033344 0.85 KLKB1 (0.36) KLKB1METTL3
SCHEMBL29958489 0.82 KLKB1 (0.38) 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
Send feedback