SCHEMBL14284697

SCHEMBL14284697

O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nccnc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.58
TLR7 Q9NYK1 1/20 0.58
KDR P35968 4/20 0.56
BRAF P15056 3/20 0.55
MAPK14 Q16539 2/20 0.55
TNNI3K Q59H18 2/20 0.55
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53
MAPK13 O15264 1/20 0.53
JAK2 O60674 1/20 0.53
MAP4K4 O95819 1/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
ROS1 P08922 1/20 0.53
SRC P12931 1/20 0.53
RPS6KB1 P23443 1/20 0.53
EPHA2 P29317 1/20 0.53

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
SCHEMBL5583621 0.88 TLR7 (0.57) TLR8TLR7KDRBRAFMAPK14
SCHEMBL14284392 0.85 KDR (0.60) TLR8TLR7KDRBRAFMAPK14
SCHEMBL5583862 0.83 KDR (0.55) TLR8TLR7KDRBRAFMAPK14
SCHEMBL14284636 0.83 KDR (0.55) TLR8TLR7KDRBRAFMAPK14
SCHEMBL2238152 0.82 TLR8 (0.61) TLR8TLR7KDRBRAFMAPK14
SCHEMBL2240532 0.82 KDR (0.54) TLR8TLR7KDRBRAFMAPK14
SCHEMBL2238803 0.82 KDR (0.52) TLR8TLR7KDRBRAFMAPK14
SCHEMBL14284643 0.82 KDR (0.54) TLR8TLR7KDRBRAFMAPK14
SCHEMBL13849004 0.82 KDR (0.52) TLR8TLR7KDRBRAFMAPK14
SCHEMBL14284729 0.81 P2RY1 (0.53) TLR8TLR7KDRBRAFMAPK14

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
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed