SCHEMBL17447779

SCHEMBL17447779

NC(=O)c1ccc(Oc2ncnc3cc4c(cc23)OCO4)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
MET P08581 6/20 0.44
PDE5A O76074 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
PI4K2A Q9BTU6 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
FLT3 P36888 1/20 0.40
KDR P35968 3/20 0.40
AURKA O14965 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12503386 0.91 MET (0.48) TRPA1METALDH1A1HTTFLT3
SCHEMBL16033166 0.84 MET (0.50) METALDH1A1LMNAHTTNPSR1
SCHEMBL17447781 0.83 TRPA1 (0.50) TRPA1METPDE5AFLT3KDR
SCHEMBL14966643 0.77 MET (0.47) METFLT3KDR
SCHEMBL12503365 0.75 MET (0.46) METFLT3KDRAURKATEK
SCHEMBL368095 0.74 MET (0.51) TRPA1METKDR
SCHEMBL2744726 0.72 AXL (0.61) METFLT3KDRAURKATEK
SCHEMBL2744926 0.72 KDR (0.53) TRPA1METKDR
SCHEMBL17447792 0.72 MET (0.67) METFLT3KDR
SCHEMBL14938343 0.71 MET (0.54) TRPA1METKDR

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
EP-2593462-B1 NOVEL FUSED HETEROCYCLIC DERIVATIVES USEFUL AS C-MET TYROSINE KINASE INHIBITORS BETTA PHARMACEUTICALS CO LTD (CN) 2016-09-07 EP claimed
US-9242991-B2 Substituted fused heterocycles as c-Met tyrosine kinase inhibitors BETTA PHARMACEUTICALS CO., LTD (CN) 2016-01-26 US claimed
US-9242991-B2 Substituted fused heterocycles as c-Met tyrosine kinase inhibitors BETTA PHARMACEUTICALS CO., LTD (CN) 2016-01-26 US disclosed