SCHEMBL30455835

SCHEMBL30455835

CCS(=O)(=O)N[C@H]1CC[C@H](CN2CCC3(CC2)CN(c2ncnc4ccc(CCc5ccncc5)cc24)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ KIT P10721 4/20 0.39
▸ DRD2 P14416 3/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ CNR1 P21554 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ ENPP1 P22413 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL25226777 1.00 MEN1 (0.48) MEN1KMT2AKCNH2KITDRD2
SCHEMBL31501644 1.00 MEN1 (0.48) MEN1KMT2AKCNH2KITDRD2
SCHEMBL25270741 1.00 MEN1 (0.48) MEN1KMT2AKCNH2KITDRD2
SCHEMBL25270732 0.93 MEN1 (0.47) MEN1KMT2AKCNH2KITDRD2
SCHEMBL31501642 0.93 MEN1 (0.47) MEN1KMT2AKCNH2KITDRD2
SCHEMBL25270731 0.93 MEN1 (0.47) MEN1KMT2AKCNH2KITDRD2
SCHEMBL30456088 0.93 MEN1 (0.47) MEN1KMT2AKCNH2KITDRD2
SCHEMBL31501630 0.92 MEN1 (0.53) MEN1KMT2AKCNH2KITDRD2
SCHEMBL31501632 0.92 MEN1 (0.48) MEN1KMT2AKCNH2KITDRD2
SCHEMBL25226883 0.92 MEN1 (0.48) MEN1KMT2AKCNH2KITDRD2

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
EP-4444313-A1 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
Send feedback