SCHEMBL2433091

SCHEMBL2433091

CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(CN5CCNCC5)c(C(F)(F)F)c4)cccc3c2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.55
FLT1 P17948 5/20 0.55
FLT4 P35916 5/20 0.55
HCK P08631 5/20 0.53
MKNK2 Q9HBH9 4/20 0.53
MKNK1 Q9BUB5 3/20 0.53
PDGFRB P09619 3/20 0.53
KIT P10721 3/20 0.53
RET P07949 2/20 0.53
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
MAP3K7 O43318 2/20 0.53
FES P07332 2/20 0.53
FER P16591 2/20 0.53
MAP4K2 Q12851 2/20 0.53
MAPK14 Q16539 2/20 0.53
CSF1R P07333 2/20 0.53
PDGFRA P16234 2/20 0.53
FLT3 P36888 2/20 0.53
STK25 O00506 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
SCHEMBL2435234 0.94 KDR (0.55) KDRFLT1FLT4HCKMKNK2
SCHEMBL30151207 0.93 KDR (0.57) KDRFLT1FLT4HCKMKNK2
SCHEMBL2434456 0.93 KDR (0.57) KDRFLT1FLT4HCKMKNK2
SCHEMBL2433219 0.91 KDR (0.54) KDRFLT1FLT4HCKMKNK2
SCHEMBL274923 0.90 KDR (0.53) KDRFLT1FLT4HCKMKNK2
SCHEMBL2439239 0.90 KDR (0.70) KDRFLT1FLT4HCKMKNK2
SCHEMBL2435937 0.89 KDR (0.52) KDRFLT1FLT4HCKMKNK2
SCHEMBL279027 0.88 KDR (0.53) KDRFLT1FLT4HCKMKNK2
SCHEMBL2435727 0.86 KDR (0.56) KDRFLT1FLT4HCKMKNK2
SCHEMBL274004 0.86 KDR (0.52) KDRFLT1FLT4HCKMKNK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed