SCHEMBL2431407

SCHEMBL2431407

O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1nccc2cc(Oc3cc(Cl)ncn3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.62
FLT1 P17948 4/20 0.62
FLT4 P35916 4/20 0.62
KCNH2 Q12809 1/20 0.49
BRAF P15056 2/20 0.47
GRM4 Q14833 1/20 0.47
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK3 P27361 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
SCHEMBL2434355 0.90 KDR (0.76) KDRFLT1FLT4KCNH2BRAF
SCHEMBL2431862 0.88 KDR (0.59) KDRFLT1FLT4KCNH2BRAF
SCHEMBL2431354 0.88 KDR (0.65) KDRFLT1FLT4KCNH2BRAF
SCHEMBL2436698 0.85 KDR (0.78) KDRFLT1FLT4KCNH2BRAF
SCHEMBL2438876 0.83 KDR (0.66) KDRFLT1FLT4KCNH2BRAF
SCHEMBL2435267 0.82 CDK2 (0.58) KDRFLT1FLT4BRAFRET
SCHEMBL2434299 0.81 SRC (0.51) KDRFLT1FLT4BRAFRET
SCHEMBL2435963 0.77 KDR (1.00) KDRFLT1FLT4BRAFRET
SCHEMBL8773800 0.76 KDR (0.48) KDRFLT1FLT4KCNH2BRAF
SCHEMBL7781852 0.76 KDR (0.48) KDRFLT1FLT4KCNH2BRAF

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