SCHEMBL25234444

SCHEMBL25234444

O=C(O)N1CCC2(CC1)CN(c1ncnc3ccc(CCc4ccncc4)cc13)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.41
▸ CYP2C9 P11712 9/20 0.40
▸ CYP2C19 P33261 7/20 0.40
▸ CYP2D6 P10635 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP3A4 P08684 7/20 0.40
▸ AKT1 P31749 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ USP2 O75604 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38

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
SCHEMBL30406267 1.00 PDGFRB (0.41) PDGFRBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL25229702 0.92 AKT1 (0.44) PDGFRBAKT1JAK3
SCHEMBL25275689 0.89 PDGFRB (0.43) PDGFRBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL31027420 0.86 KIT (0.44) PDGFRBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL30405888 0.84 PDGFRB (0.41) PDGFRBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL25224450 0.83 MEN1 (0.44) HPGDCYP3A4AKT1JAK3
SCHEMBL31501707 0.83 CYP2D6 (0.46) PDGFRBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL25268625 0.83 CYP2D6 (0.46) PDGFRBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL25279193 0.82 AKT1 (0.40) PDGFRBAKT1MAPK1
SCHEMBL25281197 0.80 HTT (0.53) PDGFRBALDH1A1HPGDAKT1MAPK1

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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