SCHEMBL25725389

SCHEMBL25725389

CN1CCC2(CC1)CN(c1ncnc3ccc(C#Cc4ccccc4)cc13)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ CYP1A2 P05177 10/20 0.47
▸ CYP3A4 P08684 10/20 0.47
▸ HIF1A Q16665 8/20 0.47
▸ USP2 O75604 7/20 0.47
▸ CLK4 Q9HAZ1 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP2D6 P10635 7/20 0.45
▸ LMNA P02545 6/20 0.45
▸ CYP2C19 P33261 5/20 0.45
▸ TSHR P16473 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPK1 P28482 6/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL25630734 0.87 CYP1A2 (0.42) ALDH1A1CYP1A2CYP3A4HIF1AUSP2
SCHEMBL25229495 0.86 PDGFRB (0.39) ALDH1A1CYP1A2CYP3A4HIF1AUSP2
SCHEMBL31501697 0.86 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4HIF1AUSP2
SCHEMBL25233084 0.86 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4HIF1AUSP2
SCHEMBL25272648 0.82 KIT (0.49) ALDH1A1CYP1A2CYP3A4USP2HPGD
SCHEMBL30456407 0.82 KIT (0.49) ALDH1A1CYP1A2CYP3A4USP2HPGD
SCHEMBL25725472 0.81 HRH4 (0.69) ALDH1A1CYP1A2CYP3A4HIF1AUSP2
SCHEMBL25725161 0.80 AURKA (0.47) ALDH1A1CYP1A2CYP3A4HIF1AUSP2
SCHEMBL30405798 0.80 OPRD1 (0.43) ALDH1A1CYP1A2CYP3A4USP2HPGD
SCHEMBL25725354 0.79 EGFR (0.41) ALDH1A1CYP1A2CYP3A4HIF1AUSP2

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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