SCHEMBL8646398

SCHEMBL8646398

CCOC(=O)Cn1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
EGFR P00533 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
TMIGD3 P0DMS9 3/20 0.43
ADORA2B P29275 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL26230949 0.86 FLT4 (0.49) FLT4KDREGFRTDP1HTT
SCHEMBL20008181 0.85 ADORA2A (0.58) FLT4KDREGFRTDP1HTT
SCHEMBL3457849 0.85 EGFR (0.54) FLT4KDREGFRTDP1HTT
SCHEMBL6690200 0.85 TDP1 (0.49) TDP1HTTMKNK1ALDH1A1TSHR
SCHEMBL27967584 0.83 TMIGD3 (0.65) TDP1HTTTSHRPDE4APDE4B
SCHEMBL13672568 0.83 TDP1 (0.44) FLT4KDREGFRTDP1MKNK1
SCHEMBL27681520 0.80 HTT (0.45) FLT4KDREGFRHTTPDE4A
SCHEMBL9702446 0.80 CYP1A2 (0.51) FLT4KDREGFRHTTPDE4A
SCHEMBL9230643 0.80 HDAC6 (0.58) FLT4KDRALDH1A1TMIGD3HDAC1
SCHEMBL7263226 0.79 ADORA2A (0.52) FLT4KDREGFRTDP1HTT

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
EP-0863150-A1 A method for the preparation of nucleic acid binding compound BOEHRINGER MANNHEIM GMBH (DE) 1998-09-09 EP disclosed