SCHEMBL30553245

SCHEMBL30553245

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(CC[C@@H](Cc3cnc(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.41
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CNR2 P34972 1/20 0.30
▸ GSK3B P49841 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
SCHEMBL25324968 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325011 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL30553212 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25324972 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL30553168 0.95 MGLL (0.40) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325478 0.95 MGLL (0.40) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL30553283 0.94 MGLL (0.45) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325009 0.94 MGLL (0.45) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325955 0.88 MGLL (0.40) MGLL
SCHEMBL30553282 0.88 MGLL (0.40) 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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