SCHEMBL1325243

SCHEMBL1325243

O=C(Nc1cccc(C(F)(F)F)c1)c1csc2cc(Oc3ccnc(CO)n3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.59
FLT1 P17948 4/20 0.59
FLT4 P35916 4/20 0.59
RET P07949 3/20 0.59
PDGFRB P09619 2/20 0.59
KIT P10721 2/20 0.59
MAPK14 Q16539 4/20 0.48
TNNI3K Q59H18 4/20 0.48
BRAF P15056 3/20 0.48
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
ROS1 P08922 1/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL1324097 0.94 KDR (0.51) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324999 0.92 KDR (0.49) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324971 0.89 KDR (0.46) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324209 0.88 KDR (0.75) KDRFLT1FLT4RETPDGFRB
SCHEMBL12124621 0.88 KDR (0.52) KDRFLT1FLT4RETPDGFRB
SCHEMBL2467946 0.86 KDR (0.78) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324228 0.85 KDR (0.48) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324053 0.85 KDR (0.43) KDRFLT1FLT4RETPDGFRB
SCHEMBL1323994 0.85 KDR (0.42) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325348 0.84 KDR (0.75) KDRFLT1FLT4RETPDGFRB

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-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US claimed
US-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US disclosed