SCHEMBL25229702

SCHEMBL25229702

O=C(O)N1CCC2(CC1)CN(c1ncnc3ccc(CCc4ccccc4)cc13)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 9/20 0.44
▸ AKT2 P31751 5/20 0.42
▸ AKT3 Q9Y243 5/20 0.42
▸ KIT P10721 1/20 0.41
▸ PDGFRB P09619 4/20 0.41
▸ AURKA O14965 1/20 0.40
▸ AKT1S1 Q96B36 1/20 0.40
▸ IP6K1 Q92551 1/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PDGFRA P16234 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
SCHEMBL25234444 0.92 PDGFRB (0.41) AKT1PDGFRBJAK3
SCHEMBL30406267 0.92 PDGFRB (0.41) AKT1PDGFRBJAK3
SCHEMBL25275689 0.91 PDGFRB (0.43) AKT1AKT2AKT3KITPDGFRB
SCHEMBL25225988 0.87 KIT (0.49) KITPDGFRB
SCHEMBL30455937 0.87 KIT (0.49) KITPDGFRB
SCHEMBL25725161 0.86 AURKA (0.47) KITAURKA
SCHEMBL25224450 0.85 MEN1 (0.44) AKT1AKT2AKT3JAK3
SCHEMBL25633293 0.84 HTT (0.52) KITAURKA
SCHEMBL25279193 0.84 AKT1 (0.40) AKT1PDGFRBPDGFRA
SCHEMBL25630561 0.84 KIT (0.41) AKT1KITAURKAIP6K1IP6K3

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-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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