SCHEMBL4789121

SCHEMBL4789121

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.79
KMT2A Q03164 2/20 0.79
MAPK14 Q16539 7/20 0.76
MAP3K7 O43318 6/20 0.76
MAP4K2 Q12851 6/20 0.76
CSK P41240 4/20 0.76
RAF1 P04049 3/20 0.76
EPHA2 P29317 3/20 0.76
MAP3K20 Q9NYL2 3/20 0.76
MAP4K4 O95819 2/20 0.76
ABL1 P00519 2/20 0.76
LYN P07948 2/20 0.76
SRC P12931 2/20 0.76
EPHB2 P29323 2/20 0.76
ABL2 P42684 2/20 0.76
EPHB4 P54760 2/20 0.76
FES P07332 1/20 0.76
FER P16591 1/20 0.76
FLT3 P36888 1/20 0.76
HTT P42858 3/20 0.69

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
SCHEMBL4790225 0.93 ATM (0.68) ATMKMT2AMAPK14MAP3K7MAP4K2
SCHEMBL4788876 0.92 ATM (0.67) ATMKMT2AMAPK14MAP3K7MAP4K2
SCHEMBL4754137 0.89 MAP3K7 (0.75) ATMKMT2AMAPK14MAP3K7MAP4K2
SCHEMBL14704592 0.89 MAPK14 (0.78) ATMKMT2AMAPK14MAP3K7MAP4K2
SCHEMBL2285546 0.87 DDR1 (0.71) ATMKMT2AMAPK14MAP3K7MAP4K2
SCHEMBL4788872 0.87 DDR1 (0.70) ATMKMT2AMAPK14MAP3K7MAP4K2
SCHEMBL29356360 0.86 MAPK14 (1.00) MAPK14MAP3K7MAP4K2CSKRAF1
SCHEMBL17244048 0.86 MAPK14 (1.00) MAPK14MAP3K7MAP4K2CSKRAF1
SCHEMBL14704632 0.86 DDR1 (0.69) ATMKMT2AMAPK14MAP3K7MAP4K2
SCHEMBL13708167 0.86 ATM (0.69) ATMKMT2AMAPK14MAP3K7MAP4K2

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 3 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 claimed
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