SCHEMBL24075627

SCHEMBL24075627

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.36
SLC29A1 Q99808 1/20 0.36
FGFR1 P11362 3/20 0.35
FGFR4 P22455 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
EGFR P00533 2/20 0.34
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
P2RX7 Q99572 1/20 0.32
HTT P42858 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 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
SCHEMBL29727327 1.00 P2RX3 (0.36) P2RX3SLC29A1FGFR1FGFR4PDE4A
SCHEMBL28821449 1.00 P2RX3 (0.36) P2RX3SLC29A1FGFR1FGFR4PDE4A
SCHEMBL31028254 0.92 P2RX3 (0.39) P2RX3SLC29A1FGFR1FGFR4PDE4A
SCHEMBL24075634 0.90 DOT1L (0.37) SLC29A1FGFR1FGFR4PDE4APDE4B
SCHEMBL28948817 0.90 SLC29A1 (0.35) P2RX3SLC29A1FGFR1FGFR4PDE4A
SCHEMBL28948818 0.90 SLC29A1 (0.35) P2RX3SLC29A1FGFR1FGFR4PDE4A
SCHEMBL28821343 0.89 NSD2 (0.36) P2RX3SLC29A1FGFR1FGFR4AAK1
SCHEMBL28821345 0.89 NSD2 (0.36) P2RX3SLC29A1FGFR1FGFR4AAK1
SCHEMBL24075628 0.85 SLC29A1 (0.35) P2RX3SLC29A1FGFR1FGFR4PDE4A
SCHEMBL24075629 0.84 EP300 (0.36) P2RX3SLC29A1FGFR1FGFR4PDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929705-A MLL1 inhibitor and anticancer agent 诺华公司 2022-08-19 CN disclosed
WO-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 WO disclosed