SCHEMBL25633482

SCHEMBL25633482

CCSNc1ccc(CN2CCC3(CC2)CCN(c2ncnc4cc(CC(F)(F)F)ccc24)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ ACHE P22303 4/20 0.41
▸ BACE1 P56817 4/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ EGFR P00533 2/20 0.36
▸ KDR P35968 1/20 0.36
▸ HTT P42858 2/20 0.35

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
SCHEMBL25273586 0.86 MEN1 (0.46) MEN1KMT2AACHEBACE1AURKA
SCHEMBL25273634 0.80 MEN1 (0.49) MEN1KMT2AACHEBACE1AURKA
SCHEMBL25631031 0.80 HRH4 (0.44) MEN1KMT2AACHEBACE1AURKA
SCHEMBL25271281 0.79 MEN1 (0.46) MEN1KMT2AACHEBACE1AURKA
SCHEMBL30456045 0.79 MEN1 (0.46) MEN1KMT2AACHEBACE1AURKA
SCHEMBL25633484 0.79 MEN1 (0.52) MEN1KMT2A
SCHEMBL25274694 0.77 CYP2D6 (0.41) MEN1KMT2ACYP1A2CYP2D6HTT
SCHEMBL25631020 0.76 CYP1A2 (0.42) MEN1KMT2AACHEBACE1AURKA
SCHEMBL25274939 0.74 AKT1 (0.42) MEN1KMT2ACYP1A2CYP2D6
SCHEMBL30455878 0.74 MEN1 (0.43) MEN1KMT2ACYP1A2EGFRKDR

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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