SCHEMBL25423715

SCHEMBL25423715

O=C(O)N1CCC2(CC1)CN(c1ncnc3ccc(CC(F)(F)F)c(F)c13)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ KRAS P01116 2/20 0.36
▸ JAK3 P52333 1/20 0.34
▸ HSD17B10 Q99714 4/20 0.33
▸ USP2 O75604 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL31578921 0.87 MAP4K4 (0.40) MEN1KMT2A
SCHEMBL25274640 0.85 AKT1 (0.36) MEN1JAK3HSD17B10USP2CYP3A4
SCHEMBL30405843 0.84 OPRD1 (0.36) MEN1KMT2AHSD17B10CYP3A4ALDH1A1
SCHEMBL25231891 0.83 AKT1 (0.38) MEN1KMT2AHSD17B10USP2CYP3A4
SCHEMBL25422458 0.82 ALDH1A1 (0.35) JAK3HSD17B10USP2CYP3A4ALDH1A1
SCHEMBL25276242 0.80 KRAS (0.41) MEN1KMT2AKRASJAK3HSD17B10
SCHEMBL25228757 0.80 MEN1 (0.38) MEN1KMT2AKRASJAK3HSD17B10
SCHEMBL25224450 0.79 MEN1 (0.44) MEN1KMT2AKRASJAK3CYP3A4
SCHEMBL25229793 0.72 AKT1 (0.42) MEN1KMT2AKRASCYP3A4HPGD
SCHEMBL25226649 0.72 MEN1 (0.37) MEN1KMT2AJAK3HSD17B10USP2

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