SCHEMBL24075628

SCHEMBL24075628

CCOC(=O)[C@H](N)CCC(C)Oc1ccc(Cl)c(Cl)c1Cn1cnc2c(NC(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.35
FGFR1 P11362 3/20 0.34
FGFR4 P22455 3/20 0.34
NT5E P21589 1/20 0.34
PTGER1 P34995 1/20 0.33
P2RX3 P56373 3/20 0.33
MARS1 P56192 2/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
BACE1 P56817 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL24075634 0.92 DOT1L (0.37) SLC29A1FGFR1FGFR4PIK3CDABL1
SCHEMBL31028254 0.91 P2RX3 (0.39) SLC29A1FGFR1FGFR4NT5EPTGER1
SCHEMBL24075629 0.89 EP300 (0.36) SLC29A1FGFR1FGFR4NT5EPTGER1
SCHEMBL24075511 0.86 MARS1 (0.41) MARS1PIK3CDEGFRPI4KB
SCHEMBL31028216 0.86 MARS1 (0.41) MARS1PIK3CDEGFRPI4KB
SCHEMBL28821449 0.85 P2RX3 (0.36) SLC29A1FGFR1FGFR4P2RX3PIK3CD
SCHEMBL29727327 0.85 P2RX3 (0.36) SLC29A1FGFR1FGFR4P2RX3PIK3CD
SCHEMBL24075627 0.85 P2RX3 (0.36) SLC29A1FGFR1FGFR4P2RX3PIK3CD
SCHEMBL24075523 0.82 DOT1L (0.35) SLC29A1FGFR1FGFR4MARS1PDE4A
SCHEMBL24074732 0.81 SLC29A1 (0.35) SLC29A1FGFR1FGFR4PDE4APDE4B

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-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 WO disclosed