SCHEMBL2431002

SCHEMBL2431002

Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Oc3cc(N)ncn3)cc21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.72
FLT1 P17948 4/20 0.72
FLT4 P35916 4/20 0.72
MAPK14 Q16539 9/20 0.62
TNNI3K Q59H18 9/20 0.62
BRAF P15056 8/20 0.62
RET P07949 2/20 0.56
PDGFRB P09619 2/20 0.56
KIT P10721 2/20 0.56

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
SCHEMBL2436450 0.91 KDR (0.58) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL2431516 0.90 KDR (0.70) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL2435211 0.90 KDR (0.69) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL2434062 0.84 KDR (1.00) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL2433803 0.81 KDR (0.74) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL2432354 0.80 KDR (0.56) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL2437183 0.79 KDR (0.78) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL2706563 0.78 KDR (0.43) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL3180722 0.77 KDR (1.00) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL17519091 0.77 KDR (0.75) KDRFLT1FLT4MAPK14TNNI3K

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