SCHEMBL29878844

SCHEMBL29878844

Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(S(C)(=O)=O)c4n3)cnn2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.33
▸ MAP4K1 Q92918 15/20 0.32
▸ IKBKB O14920 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL24738376 1.00 TYK2 (0.33) TYK2MAP4K1IKBKBJAK2ROCK2
SCHEMBL29136772 0.87 LRRK2 (0.37) MAP4K1
SCHEMBL29136775 0.87 LRRK2 (0.37) MAP4K1
SCHEMBL24738541 0.87 LRRK2 (0.37) MAP4K1
SCHEMBL29880248 0.87 LRRK2 (0.37) MAP4K1
SCHEMBL29940239 0.86 GRM5 (0.34) MAP4K1
SCHEMBL29278062 0.86 GRM5 (0.34) MAP4K1
SCHEMBL29302761 0.86 GRM5 (0.34) MAP4K1
SCHEMBL29278065 0.86 GRM5 (0.34) MAP4K1
SCHEMBL24737796 0.85 MAP4K1 (0.33) MAP4K1

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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