SCHEMBL25631166

SCHEMBL25631166

C=CCCc1ccc2ncnc(N3CC4(CCN(C#N)CC4)C3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL25630561 0.86 KIT (0.41) HTTMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL25725210 0.82 CYP1A2 (0.41) HTTMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL25630530 0.76 PTK2 (0.50) HTTMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL25630734 0.75 CYP1A2 (0.42) HTTMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL25725161 0.72 AURKA (0.47) HTTMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL25630640 0.72 HTT (0.37) HTTMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL25633293 0.71 HTT (0.52) HTTMEN1ALDH1A1KDM4EKMT2A
SCHEMBL25229702 0.70 AKT1 (0.44) JAK3KITAKT1
SCHEMBL31501711 0.69 HTT (0.44) HTTMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL25227852 0.69 HTT (0.44) HTTMEN1CYP1A2CYP3A4ALDH1A1

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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