SCHEMBL1325348

SCHEMBL1325348

O=C(Nc1cccc(C(F)(F)F)c1)c1csc2cc(Oc3cc(CO)ncn3)ccc12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.75
FLT1 P17948 3/20 0.75
FLT4 P35916 3/20 0.75
RET P07949 2/20 0.75
PDGFRB P09619 2/20 0.75
KIT P10721 2/20 0.75
MAPK14 Q16539 11/20 0.49
TNNI3K Q59H18 11/20 0.49
BRAF P15056 10/20 0.49

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
SCHEMBL1325423 0.92 KDR (0.62) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325008 0.89 KDR (0.59) KDRFLT1FLT4RETPDGFRB
SCHEMBL12124641 0.88 KDR (0.56) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324953 0.86 KDR (0.57) KDRFLT1FLT4RETPDGFRB
Bfh-772 SCHEMBL29366190 0.85 KDR (1.00) KDRFLT1FLT4RETPDGFRB
Bfh-772 SCHEMBL987715 0.85 KDR (1.00) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324765 0.85 KDR (0.55) KDRFLT1FLT4RETPDGFRB
Bfh-772 SCHEMBL1041162 0.85 KDR (0.98) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325243 0.84 KDR (0.59) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325285 0.84 KDR (0.53) 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