SCHEMBL25224450

SCHEMBL25224450

O=C(O)N1CCC2(CC1)CN(c1ncnc3ccc(CC(F)(F)F)cc13)C2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ AKT1 P31749 6/20 0.42
▸ AKT2 P31751 2/20 0.40
▸ AKT3 Q9Y243 2/20 0.40
▸ JAK3 P52333 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KRAS P01116 1/20 0.38

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
SCHEMBL25229793 0.93 AKT1 (0.42) MEN1KMT2AAKT1AKT2AKT3
SCHEMBL25281209 0.92 MEN1 (0.44) MEN1KMT2AAKT1AKT2AKT3
SCHEMBL25280892 0.87 KIT (0.44) MEN1AKT1
SCHEMBL30405237 0.87 KIT (0.44) MEN1AKT1
SCHEMBL30456670 0.86 MEN1 (0.44) MEN1KMT2AAKT1
SCHEMBL25277100 0.86 MEN1 (0.44) MEN1KMT2AAKT1
SCHEMBL25716737 0.85 HTT (0.46) MEN1KMT2ACYP3A4HPGD
SCHEMBL25274939 0.85 AKT1 (0.42) MEN1KMT2AAKT1AKT2AKT3
SCHEMBL25229702 0.85 AKT1 (0.44) AKT1AKT2AKT3JAK3
SCHEMBL25633236 0.84 HTT (0.52) MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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