SCHEMBL29940369

SCHEMBL29940369

N#Cc1ccc(Cl)cc1[C@H]1C[C@@H]1C(=O)Nc1cc(NCc2nc3ncc(C4CC4)cn3n2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KLKB1 P03952 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
SCHEMBL29302582 1.00 TYK2 (0.36) TYK2ABL1JAK2IKBKBROCK2
SCHEMBL29940513 0.90 KLKB1 (0.39) TYK2ABL1JAK2IKBKBROCK2
SCHEMBL29302546 0.90 KLKB1 (0.39) TYK2ABL1JAK2IKBKBROCK2
SCHEMBL29939911 0.89 TYK2 (0.36) TYK2ABL1JAK2IKBKBROCK2
SCHEMBL29304087 0.89 TYK2 (0.36) TYK2ABL1JAK2IKBKBROCK2
SCHEMBL29940331 0.87 TYK2 (0.39) TYK2
SCHEMBL29302548 0.87 TYK2 (0.39) TYK2
SCHEMBL29136913 0.83 KLKB1 (0.39) TYK2ABL1JAK2LRRK2KLKB1
SCHEMBL29136866 0.83 KLKB1 (0.39) TYK2ABL1JAK2LRRK2KLKB1
SCHEMBL29879507 0.83 KLKB1 (0.39) TYK2ABL1JAK2LRRK2KLKB1

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-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
Send feedback