SCHEMBL4754137

SCHEMBL4754137

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 6/20 0.75
MAP4K2 Q12851 6/20 0.75
MAPK14 Q16539 6/20 0.75
HTT P42858 3/20 0.73
ATM Q13315 2/20 0.73
MAPK1 P28482 1/20 0.73
KMT2A Q03164 1/20 0.71
CSK P41240 4/20 0.68
EPHA2 P29317 3/20 0.68
MAP3K20 Q9NYL2 3/20 0.68
MAP4K4 O95819 2/20 0.68
ABL1 P00519 2/20 0.68
RAF1 P04049 2/20 0.68
LYN P07948 2/20 0.68
SRC P12931 2/20 0.68
EPHB2 P29323 2/20 0.68
ABL2 P42684 2/20 0.68
EPHB4 P54760 2/20 0.68
FES P07332 1/20 0.68
FER P16591 1/20 0.68

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
SCHEMBL4789121 0.89 ATM (0.79) MAP3K7MAP4K2MAPK14HTTATM
SCHEMBL3388452 0.88 MAP3K7 (0.70) MAP3K7MAP4K2MAPK14HTTATM
SCHEMBL30692261 0.85 MAP3K7 (1.00) MAP3K7MAP4K2MAPK14CSKEPHA2
SCHEMBL14690002 0.85 MAP3K7 (1.00) MAP3K7MAP4K2MAPK14CSKEPHA2
SCHEMBL3388557 0.85 MAPK14 (0.68) MAP3K7MAP4K2MAPK14HTTATM
SCHEMBL13708167 0.85 ATM (0.69) MAP3K7MAP4K2MAPK14HTTATM
SCHEMBL14704592 0.85 MAPK14 (0.78) MAP3K7MAP4K2MAPK14HTTATM
SCHEMBL4788703 0.85 BRAF (0.89) MAP3K7MAP4K2MAPK14HTTATM
SCHEMBL4588859 0.84 MAPK14 (0.67) MAP3K7MAP4K2MAPK14HTTATM
SCHEMBL2285546 0.84 DDR1 (0.71) MAP3K7MAP4K2MAPK14ATMKMT2A

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed