SCHEMBL2431862

SCHEMBL2431862

CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)nccc3c2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.59
FLT1 P17948 2/20 0.59
FLT4 P35916 2/20 0.59
BRAF P15056 3/20 0.54
CSF1R P07333 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT3 P36888 1/20 0.50
MAPK14 Q16539 1/20 0.50
TNNI3K Q59H18 1/20 0.50
KCNH2 Q12809 1/20 0.48
RAF1 P04049 1/20 0.46
MAPK3 P27361 1/20 0.46

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
SCHEMBL2431407 0.88 KDR (0.62) KDRFLT1FLT4BRAFPDGFRB
SCHEMBL2434355 0.87 KDR (0.76) KDRFLT1FLT4BRAFPDGFRB
SCHEMBL2439482 0.86 KDR (0.67) KDRFLT1FLT4BRAFPDGFRB
SCHEMBL2435174 0.84 HCK (0.56) KDRFLT1FLT4BRAFCSF1R
SCHEMBL2434445 0.82 HCK (0.54) KDRFLT1FLT4BRAFCSF1R
SCHEMBL2436698 0.82 KDR (0.78) KDRFLT1FLT4BRAFPDGFRB
SCHEMBL2431354 0.80 KDR (0.65) KDRFLT1FLT4BRAFPDGFRB
SCHEMBL3308437 0.79 KDR (0.46) KDRBRAFCSF1RPDGFRBKIT
SCHEMBL2434003 0.77 HCK (0.55) KDRFLT1FLT4BRAFCSF1R
SCHEMBL2432172 0.77 KDR (0.63) KDRFLT1FLT4BRAFCSF1R

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