SCHEMBL30686643

SCHEMBL30686643

C[C@H](n1cc(C(N)=O)cn1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.54
LMNA P02545 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
AR P10275 1/20 0.34
PDK2 Q15119 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL29175561 1.00 ACHE (0.54) ACHELMNAMKNK1MKNK2AR
SCHEMBL35210101 0.87 ACHE (0.57) ACHE
SCHEMBL659349 0.81 ACHE (0.64) ACHELMNAMKNK1MKNK2ADORA2A
SCHEMBL29399366 0.80 ACHE (0.54) ACHELMNAMKNK1MKNK2AR
SCHEMBL25819849 0.80 ACHE (0.49) ACHELMNAMKNK1MKNK2MAPKAPK2
SCHEMBL28309802 0.80 ACHE (0.49) ACHELMNAMKNK1MKNK2MAPKAPK2
SCHEMBL12862846 0.78 ACHE (0.47) ACHELMNAMKNK1MKNK2MAPKAPK2
SCHEMBL566139 0.78 ACHE (0.50) ACHELMNAMKNK1MKNK2
SCHEMBL30961721 0.75 ACHE (0.51) ACHELMNAMKNK1MKNK2
SCHEMBL22399206 0.75 ACHE (0.68) ACHELMNAMKNK1MKNK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4531856-B1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION ALK ABELLO AS (DK) 2026-04-22 EP claimed
WO-2025083736-A1 NOVEL PROCESS FOR THE PREPARATION OF PIRTOBRUTINIB AND ITS INTERMEDIATES THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2025-04-24 WO disclosed
EP-4531856-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION ALK-Abelló A/S (DK) 2025-04-09 EP disclosed
WO-2023232958-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION Alk-Abelló A/S (DK) 2023-12-07 WO disclosed