SCHEMBL30405336

SCHEMBL30405336

CCCCOC(=O)N1CCC2(CC1)CCN(c1ncnc3cc(CC(F)(F)F)ccc13)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 12/20 0.41
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PDGFRA P16234 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ IDE P14735 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL30405783 0.93 MTNR1B (0.42) PDGFRBOPRD1OPRK1PDGFRAKDM4E
SCHEMBL31501691 0.87 KIT (0.49) PDGFRBPDGFRAAKT1
SCHEMBL25274939 0.84 AKT1 (0.42) PDGFRBSMYD3AKT1MEN1KMT2A
SCHEMBL30406086 0.81 KIT (0.44) MEN1
SCHEMBL30406372 0.80 KIT (0.49) PDGFRBPDGFRAAKT1
SCHEMBL25274694 0.77 CYP2D6 (0.41) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL30406292 0.77 OPRD1 (0.37) OPRD1OPRK1KDM4ELMNAMAPT
SCHEMBL30406045 0.77 MAPK7 (0.44) MAPK7
SCHEMBL25229793 0.77 AKT1 (0.42) PDGFRBHTTHPGDAKT1MEN1
SCHEMBL30405843 0.76 OPRD1 (0.36) OPRD1OPRK1LMNAHTTSMN1; SMN2

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-4444300-A2 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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