SCHEMBL4788872

SCHEMBL4788872

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5[nH]ccc5c4NC)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.70
KMT2A Q03164 1/20 0.68
ATM Q13315 1/20 0.68
MAPK14 Q16539 6/20 0.65
MAP3K7 O43318 5/20 0.65
MAP4K2 Q12851 5/20 0.65
CSK P41240 4/20 0.65
EPHA2 P29317 3/20 0.65
MAP3K20 Q9NYL2 3/20 0.65
MAP4K4 O95819 2/20 0.64
ABL1 P00519 2/20 0.64
RAF1 P04049 2/20 0.64
LYN P07948 2/20 0.64
SRC P12931 2/20 0.64
EPHB2 P29323 2/20 0.64
ABL2 P42684 2/20 0.64
EPHB4 P54760 2/20 0.64
FES P07332 1/20 0.63
FER P16591 1/20 0.63
FLT3 P36888 1/20 0.63

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
SCHEMBL4788870 0.92 KMT2A (0.60) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL2285546 0.91 DDR1 (0.71) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL4787063 0.90 DDR1 (0.67) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL14704632 0.90 DDR1 (0.69) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL12518526 0.90 DDR1 (0.82) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL30692242 0.90 DDR1 (0.82) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL14704592 0.87 MAPK14 (0.78) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL4789121 0.87 ATM (0.79) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL4788857 0.84 BRAF (0.52) DDR1KMT2AATMMAPK14MAP3K7
SCHEMBL4788677 0.84 CSF1R (0.56) DDR1KMT2AATMMAPK14MAP3K7

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