SCHEMBL28567290

SCHEMBL28567290

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cc2N)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.51
SYK P43405 2/20 0.51
AURKA O14965 3/20 0.47
PDPK1 O15530 3/20 0.47
AURKB Q96GD4 3/20 0.47
F10 P00742 1/20 0.46
BTK Q06187 5/20 0.45
JAK3 P52333 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL4439875 1.00 MAP4K4 (0.51) MAP4K4SYKAURKAPDPK1AURKB
SCHEMBL27796418 0.90 LMNA (0.43) MAP4K4SYKAURKAPDPK1AURKB
SCHEMBL28605703 0.89 SYK (0.51) MAP4K4SYKAURKAPDPK1AURKB
SCHEMBL28605705 0.89 SYK (0.51) MAP4K4SYKAURKAPDPK1AURKB
SCHEMBL4437136 0.89 KDM4E (0.49) SYKKDM4EALDH1A1LMNAPIM1
SCHEMBL28566874 0.88 HTT (0.54) MAP4K4SYKAURKAPDPK1AURKB
SCHEMBL4445734 0.87 MAP4K4 (0.53) MAP4K4SYKAURKAPDPK1AURKB
SCHEMBL4436879 0.86 MAP4K4 (0.52) MAP4K4AURKAPDPK1AURKBF10
SCHEMBL28572991 0.85 MAP4K4 (0.52) MAP4K4AURKAPDPK1AURKBF10
SCHEMBL4439169 0.85 MAP4K4 (0.52) MAP4K4AURKAPDPK1AURKBF10

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
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed