SCHEMBL1324765

SCHEMBL1324765

Cc1ccc(NC(=O)c2csc3cc(Oc4cc(CO)ncn4)ccc23)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.55
FLT1 P17948 5/20 0.55
FLT4 P35916 4/20 0.55
RET P07949 1/20 0.55
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
KCNH2 Q12809 1/20 0.44
RAF1 P04049 2/20 0.42
MAPK3 P27361 2/20 0.42
BRAF P15056 3/20 0.40
S1PR1 P21453 1/20 0.40
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 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
SCHEMBL1324953 0.91 KDR (0.57) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325348 0.85 KDR (0.75) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324228 0.85 KDR (0.48) KDRFLT1FLT4RETPDGFRB
SCHEMBL2468964 0.85 KDR (0.76) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324280 0.84 KDR (0.47) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325368 0.84 KDR (0.52) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325008 0.83 KDR (0.59) KDRFLT1FLT4RETPDGFRB
SCHEMBL12124641 0.83 KDR (0.56) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325423 0.82 KDR (0.62) KDRFLT1FLT4RETPDGFRB
SCHEMBL1325005 0.81 KDR (0.61) 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