SCHEMBL274221

SCHEMBL274221

N[C@@H]1CCCN(c2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(=O)C6CC6)ncn5)ccc34)cc2C(F)(F)F)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.56
FLT1 P17948 4/20 0.55
FLT4 P35916 4/20 0.55
BRAF P15056 3/20 0.49
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL279328 1.00 KDR (0.56) KDRFLT1FLT4BRAFRET
SCHEMBL273545 0.94 KDR (0.58) KDRFLT1FLT4BRAFRET
SCHEMBL278849 0.94 KDR (0.58) KDRFLT1FLT4BRAFRET
SCHEMBL273272 0.94 KDR (0.58) KDRFLT1FLT4BRAFRET
SCHEMBL274614 0.87 KDR (0.60) KDRFLT1FLT4BRAFRET
SCHEMBL273333 0.84 KDR (0.54) KDRFLT1FLT4BRAFRET
SCHEMBL273571 0.84 KDR (0.54) KDRFLT1FLT4BRAFRET
SCHEMBL274497 0.83 KDR (0.57) KDRFLT1FLT4BRAFRET
SCHEMBL278848 0.82 KDR (0.54) KDRFLT1FLT4BRAFRET
SCHEMBL275088 0.80 HCK (0.60) KDRFLT1FLT4BRAFRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP claimed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed