SCHEMBL2434427

SCHEMBL2434427

O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2cc(Cc3ccncc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.57
FLT1 P17948 3/20 0.57
FLT4 P35916 3/20 0.57
GRM4 Q14833 1/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
BLM P54132 1/20 0.45
WRN Q14191 1/20 0.45
KMT2A Q03164 1/20 0.45
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 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
SCHEMBL273411 0.83 KDR (0.57) KDRFLT1FLT4GRM4LMNA
SCHEMBL272703 0.82 KDR (0.57) KDRFLT1FLT4GRM4PDGFRB
SCHEMBL273217 0.82 KDR (0.68) KDRFLT1FLT4GRM4PDGFRB
SCHEMBL274571 0.81 KDR (0.56) KDRFLT1FLT4GRM4PDGFRB
SCHEMBL27484180 0.80 GRM4 (0.50) KDRFLT1FLT4GRM4SMN1; SMN2
SCHEMBL272870 0.79 KDR (0.58) KDRFLT1FLT4GRM4PDGFRB
SCHEMBL4981328 0.76 KDR (0.71) KDRFLT1FLT4GRM4ABL1
SCHEMBL3119134 0.74 KDR (0.80) KDRFLT1FLT4GRM4ABL1
SCHEMBL2435177 0.74 KDR (0.64) KDRFLT1FLT4GRM4PDGFRB
SCHEMBL4016130 0.74 KDR (0.68) KDRFLT1FLT4GRM4LMNA

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