SCHEMBL30405196

SCHEMBL30405196

CCCCOC(=O)N1CCC2(CC1)CN(c1ncnc3ccc(CCc4cccnc4)cc13)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 6/20 0.41
▸ PDGFRA P16234 4/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ENPP2 Q13822 4/20 0.38
▸ ATXN2 Q99700 4/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ KIT P10721 3/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL30405888 0.91 PDGFRB (0.41) PDGFRBPDGFRAOPRD1OPRK1ENPP2
SCHEMBL25437390 0.87 KIT (0.51) PDGFRBPDGFRAMEN1KMT2AALDH1A1
SCHEMBL30406053 0.87 KIT (0.51) PDGFRBPDGFRAMEN1KMT2AALDH1A1
SCHEMBL25275689 0.85 PDGFRB (0.43) PDGFRBPDGFRAMEN1KMT2AALDH1A1
SCHEMBL30405875 0.85 PDGFRB (0.39) PDGFRBPDGFRAOPRD1OPRK1ENPP2
SCHEMBL30405747 0.82 HTT (0.48) PDGFRBPDGFRAOPRD1OPRK1ENPP2
SCHEMBL30405798 0.80 OPRD1 (0.43) PDGFRBOPRD1OPRK1ENPP2ATXN2
SCHEMBL30406045 0.79 MAPK7 (0.44) ENPP2ATXN2KITMTNR1B
SCHEMBL30406110 0.78 HSD17B10 (0.44) OPRD1OPRK1MAPTALDH1A1LMNA
SCHEMBL30405783 0.78 MTNR1B (0.42) PDGFRBPDGFRAOPRD1OPRK1ENPP2

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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