SCHEMBL2436698

SCHEMBL2436698

Nc1nccc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)nccc3c2)n1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.78
FLT1 P17948 4/20 0.78
FLT4 P35916 4/20 0.78
RET P07949 1/20 0.59
PDGFRB P09619 1/20 0.59
KIT P10721 1/20 0.59
CDK8 P49336 3/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48
GRM4 Q14833 2/20 0.45
BRAF P15056 4/20 0.44
KCNH2 Q12809 1/20 0.42
MET P08581 1/20 0.42
RIPK1 Q13546 1/20 0.42

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
SCHEMBL2431354 0.91 KDR (0.65) KDRFLT1FLT4RETPDGFRB
SCHEMBL274763 0.88 KDR (1.00) KDRFLT1FLT4RETPDGFRB
SCHEMBL2434355 0.88 KDR (0.76) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324005 0.86 KDR (0.69) KDRFLT1FLT4RETPDGFRB
SCHEMBL2431407 0.85 KDR (0.62) KDRFLT1FLT4RETPDGFRB
SCHEMBL12024575 0.85 KDR (0.80) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324954 0.83 KDR (0.73) KDRFLT1FLT4RETPDGFRB
SCHEMBL1324123 0.83 KDR (0.73) KDRFLT1FLT4RETPDGFRB
SCHEMBL2431862 0.82 KDR (0.59) KDRFLT1FLT4PDGFRBKIT
SCHEMBL2435814 0.80 KDR (0.87) 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 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