SCHEMBL25226649

SCHEMBL25226649

O=C(O)N1CCC2(CC1)CN(c1ncnc3ncc(CC(F)(F)F)nc13)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ HSD17B10 Q99714 5/20 0.34
▸ USP2 O75604 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ JAK3 P52333 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ NSD2 O96028 2/20 0.31
▸ AKT1 P31749 1/20 0.31

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
SCHEMBL30456403 0.87 ACACB (0.41) —
SCHEMBL30406358 0.84 MAPT (0.35) MEN1KMT2AHSD17B10CYP2D6CYP3A4
SCHEMBL25228757 0.84 MEN1 (0.38) MEN1KMT2AHSD17B10USP2CYP2C9
SCHEMBL25230302 0.82 ALDH1A1 (0.37) MEN1KMT2AHSD17B10USP2CYP2D6
SCHEMBL25627851 0.77 AKT1 (0.39) MEN1KMT2AHSD17B10USP2CYP2C9
SCHEMBL25224450 0.73 MEN1 (0.44) MEN1KMT2AJAK3CYP3A4HPGD
SCHEMBL25276242 0.72 KRAS (0.41) MEN1KMT2AHSD17B10USP2CYP2C9
SCHEMBL25423715 0.72 MEN1 (0.38) MEN1KMT2AHSD17B10USP2CYP2C9
SCHEMBL30455880 0.71 MAP4K4 (0.47) HSD17B10CYP2D6CYP3A4ALDH1A1
SCHEMBL30406292 0.69 OPRD1 (0.37) MEN1HSD17B10CYP2D6CYP3A4ALDH1A1

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 2 patents. 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
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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