SCHEMBL25228757

SCHEMBL25228757

O=C(O)N1CCC2(CC1)CN(c1ncnc3ccc(CC(F)(F)F)nc13)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.38
▸ KMT2A Q03164 5/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ HSD17B10 Q99714 4/20 0.34
▸ USP2 O75604 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ PIK3CD O00329 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
SCHEMBL30455880 0.87 MAP4K4 (0.47) HSD17B10CYP3A4ALDH1A1CYP2D6
SCHEMBL30406292 0.84 OPRD1 (0.37) MEN1HSD17B10CYP3A4ALDH1A1CYP2D6
SCHEMBL25226649 0.84 MEN1 (0.37) MEN1KMT2AJAK3HSD17B10USP2
SCHEMBL25272447 0.82 ALDH1A1 (0.37) MEN1KMT2AHSD17B10USP2CYP3A4
SCHEMBL25224450 0.81 MEN1 (0.44) MEN1KMT2AJAK3CYP3A4HPGD
SCHEMBL25423715 0.80 MEN1 (0.38) MEN1KMT2AJAK3HSD17B10USP2
SCHEMBL25627815 0.77 AKT1 (0.39) MEN1KMT2AHSD17B10USP2CYP3A4
SCHEMBL25276242 0.76 KRAS (0.41) MEN1KMT2AJAK3HSD17B10USP2
SCHEMBL25274640 0.74 AKT1 (0.36) MEN1JAK3HSD17B10USP2CYP3A4
SCHEMBL25229793 0.73 AKT1 (0.42) MEN1KMT2ACYP3A4HPGDKRAS

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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