SCHEMBL14747726

SCHEMBL14747726

COCCNCc1ccc(-c2cc3nccc(Oc4ccc(C)c(F)c4)c3s2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.59
MET P08581 5/20 0.59
AXL P30530 2/20 0.59
FLT3 P36888 2/20 0.59
NTRK1 P04629 1/20 0.59
KIT P10721 1/20 0.59
NTRK2 Q16620 1/20 0.59
MST1R Q04912 7/20 0.57
PLK4 O00444 1/20 0.57
MAP4K4 O95819 1/20 0.57
ABL1 P00519 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
LYN P07948 1/20 0.57
HCK P08631 1/20 0.57
PDGFRB P09619 1/20 0.57
BCR P11274 1/20 0.57
SRC P12931 1/20 0.57
ABL2 P42684 1/20 0.57
FRK P42685 1/20 0.57

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
SCHEMBL14747538 0.92 KDR (0.50) KDRMETAXLFLT3NTRK1
SCHEMBL13169037 0.86 MET (0.68) KDRMETAXLFLT3NTRK1
SCHEMBL12254309 0.85 KDR (0.56) KDRMETAXLFLT3NTRK1
SCHEMBL18542862 0.85 MET (0.68) KDRMETAXLFLT3NTRK1
SCHEMBL31290963 0.83 MET (0.68) KDRMETAXLFLT3NTRK1
SCHEMBL12252114 0.83 MET (0.68) KDRMETAXLFLT3NTRK1
SCHEMBL172056 0.83 MET (0.53) KDRMETAXLFLT3NTRK1
SCHEMBL19027054 0.83 MET (0.73) KDRMETAXLFLT3NTRK1
SCHEMBL1479181 0.82 KDR (0.59) KDRMETAXLFLT3NTRK1
SCHEMBL2671112 0.82 KDR (0.57) KDRMETAXLFLT3NTRK1

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
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed