SCHEMBL273545

SCHEMBL273545

CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(N5CCC[C@H](N)C5)c(C(F)(F)F)c4)cccc3c2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.58
FLT1 P17948 5/20 0.55
FLT4 P35916 5/20 0.55
PDGFRB P09619 3/20 0.47
KIT P10721 3/20 0.47
RET P07949 2/20 0.47
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
TNNI3K Q59H18 1/20 0.44
CSF1R P07333 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL278849 1.00 KDR (0.58) KDRFLT1FLT4PDGFRBKIT
SCHEMBL273272 1.00 KDR (0.58) KDRFLT1FLT4PDGFRBKIT
SCHEMBL274221 0.94 KDR (0.56) KDRFLT1FLT4PDGFRBKIT
SCHEMBL279328 0.94 KDR (0.56) KDRFLT1FLT4PDGFRBKIT
SCHEMBL273571 0.91 KDR (0.54) KDRFLT1FLT4PDGFRBKIT
SCHEMBL273333 0.91 KDR (0.54) KDRFLT1FLT4PDGFRBKIT
SCHEMBL274497 0.90 KDR (0.57) KDRFLT1FLT4PDGFRBKIT
SCHEMBL278848 0.88 KDR (0.54) KDRFLT1FLT4PDGFRBKIT
SCHEMBL274622 0.86 KDR (0.63) KDRFLT1FLT4PDGFRBKIT
SCHEMBL279027 0.81 KDR (0.53) KDRFLT1FLT4PDGFRBKIT

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