SCHEMBL30553249

SCHEMBL30553249

N#Cc1cc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6(O)CC6)[nH]5)C4)C2)C3)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.38
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 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
SCHEMBL25322273 1.00 MGLL (0.38) MGLLJAK2JAK1
SCHEMBL31532482 0.91 MGLL (0.36) MGLLJAK2JAK1
SCHEMBL30553256 0.89 MGLL (0.41) MGLLJAK2JAK1
SCHEMBL25325161 0.89 MGLL (0.41) MGLLJAK2JAK1
SCHEMBL25325728 0.87 MGLL (0.37) MGLL
SCHEMBL25324898 0.85 MGLL (0.39) MGLL
SCHEMBL25324926 0.84 MGLL (0.38) MGLL
SCHEMBL25324897 0.83 MGLL (0.39) MGLL
SCHEMBL25326217 0.82 MGLL (0.40) MGLL
SCHEMBL25326470 0.81 MGLL (0.37) MGLL

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-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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