SCHEMBL4049914

SCHEMBL4049914

CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC)c(C(=O)O)c32)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.71
PDGFRB P09619 6/20 0.69
EGFR P00533 4/20 0.69
PDGFRA P16234 2/20 0.69
PRKAA1 Q13131 14/20 0.66
PRKAA2 P54646 12/20 0.66
FGFR1 P11362 4/20 0.66
FLT3 P36888 3/20 0.66
PLK4 O00444 2/20 0.66
DCLK1 O15075 2/20 0.66
PDPK1 O15530 2/20 0.66
DAPK3 O43293 2/20 0.66
ROCK2 O75116 2/20 0.66
RPS6KA5 O75582 2/20 0.66
RPS6KA4 O75676 2/20 0.66
MAP4K4 O95819 2/20 0.66
CHEK2 O96017 2/20 0.66
NTRK1 P04629 2/20 0.66
INSR P06213 2/20 0.66
LCK P06239 2/20 0.66

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
SCHEMBL3953189 0.93 KDR (0.69) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL16466926 0.82 KDR (0.80) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL16466924 0.82 KDR (0.80) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL31726680 0.81 KDR (0.81) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL15627603 0.81 KDR (1.00) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL7011789 0.81 KDR (0.73) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL15202704 0.81 KDR (0.84) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL12335805 0.81 KDR (0.70) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL6431034 0.81 KDR (0.72) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL2115444 0.81 PRKAA1 (0.80) KDRPDGFRBEGFRPDGFRAPRKAA1

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
WO-2009030270-A1 DIHYDROINDOLE DERIVATIVES USEFUL IN PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-03-12 WO disclosed