SCHEMBL25633293

SCHEMBL25633293

CCN1CCC2(CC1)CN(c1ncnc3ccc(CCc4ccccc4)cc13)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ AURKA O14965 1/20 0.45
▸ KIT P10721 2/20 0.44
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL25725161 0.89 AURKA (0.47) HTTALDH1A1AURKAKITACHE
SCHEMBL25229702 0.84 AKT1 (0.44) AURKAKIT
SCHEMBL25630561 0.84 KIT (0.41) HTTALDH1A1AURKAKITACHE
SCHEMBL31501711 0.84 HTT (0.44) HTTALDH1A1AURKAKITPRMT5
SCHEMBL25227852 0.84 HTT (0.44) HTTALDH1A1AURKAKITPRMT5
SCHEMBL25633236 0.83 HTT (0.52) HTTNPSR1ALDH1A1AURKAACHE
SCHEMBL31501613 0.83 ACHE (0.42) HTTAURKAACHEBACE1MEN1
SCHEMBL25270731 0.81 MEN1 (0.47) HTTAURKAKITACHEBACE1
SCHEMBL31501642 0.81 MEN1 (0.47) HTTAURKAKITACHEBACE1
SCHEMBL25270732 0.81 MEN1 (0.47) HTTAURKAKITACHEBACE1

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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