SCHEMBL25437390

SCHEMBL25437390

CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ncnc3ccc(CCc4cccnc4)cc13)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.51
▸ NAMPT P43490 4/20 0.45
▸ GPR119 Q8TDV5 2/20 0.43
▸ PDGFRB P09619 3/20 0.43
▸ PDGFRA P16234 3/20 0.43
▸ PARP1 P09874 5/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ TNKS O95271 3/20 0.40
▸ TNKS2 Q9H2K2 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL30406053 1.00 KIT (0.51) KITNAMPTGPR119PDGFRBPDGFRA
SCHEMBL30455937 0.91 KIT (0.49) KITPDGFRBPARP1CYP11B2TNKS
SCHEMBL25225988 0.91 KIT (0.49) KITPDGFRBPARP1CYP11B2TNKS
SCHEMBL31027420 0.90 KIT (0.44) KITNAMPTGPR119PDGFRBPARP1
SCHEMBL25275689 0.87 PDGFRB (0.43) KITPDGFRBPDGFRAMEN1ALDH1A1
SCHEMBL30405196 0.87 PDGFRB (0.41) KITPDGFRBPDGFRAMEN1ALDH1A1
SCHEMBL25276663 0.86 KIT (0.45) KITPARP1CYP11B2TNKSTNKS2
SCHEMBL25280892 0.83 KIT (0.44) KITGPR119PARP1CYP11B2TNKS
SCHEMBL30405237 0.83 KIT (0.44) KITGPR119PARP1CYP11B2TNKS
SCHEMBL25224723 0.83 KIT (0.41) KITPDGFRBPARP1CYP11B2TNKS

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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