SCHEMBL25629254

SCHEMBL25629254

CC(F)(F)Cc1ccc2ncnc(N3CC4(CCN(Cc5ccc(N)cc5)CC4)C3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ ACHE P22303 4/20 0.43
▸ BACE1 P56817 4/20 0.43
▸ HTT P42858 3/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AKT1 P31749 2/20 0.40

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
SCHEMBL30455675 0.92 MEN1 (0.51) MEN1KMT2AACHEBACE1HTT
SCHEMBL25633236 0.81 HTT (0.52) MEN1KMT2AACHEBACE1HTT
SCHEMBL25230824 0.80 MEN1 (0.47) MEN1KMT2AACHEBACE1HTT
SCHEMBL31501640 0.80 MEN1 (0.53) MEN1KMT2AACHEBACE1HTT
SCHEMBL31501671 0.79 MEN1 (0.49) MEN1KMT2AACHEBACE1HTT
SCHEMBL25716737 0.79 HTT (0.46) MEN1KMT2AHTT
SCHEMBL31501649 0.79 MEN1 (0.48) MEN1KMT2AACHEBACE1HTT
SCHEMBL25226781 0.78 MEN1 (0.44) MEN1KMT2AACHEBACE1HTT
SCHEMBL25722585 0.78 HTT (0.42) MEN1KMT2AACHEBACE1HTT
SCHEMBL31501628 0.78 MEN1 (0.49) MEN1KMT2AACHEBACE1HTT

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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