SCHEMBL2439482

SCHEMBL2439482

CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)nccc3c2)ncn1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.67
BRAF P15056 12/20 0.67
MAPK14 Q16539 12/20 0.67
TNNI3K Q59H18 12/20 0.67
FLT1 P17948 3/20 0.60
FLT4 P35916 3/20 0.60
RET P07949 2/20 0.58
PDGFRB P09619 2/20 0.58
KIT P10721 2/20 0.58
RAF1 P04049 1/20 0.51

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
SCHEMBL2437183 0.87 KDR (0.78) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2431862 0.86 KDR (0.59) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL12024575 0.82 KDR (0.80) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL3183280 0.80 KDR (1.00) KDRBRAFMAPK14TNNI3K
SCHEMBL3308437 0.80 KDR (0.46) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL2435174 0.79 HCK (0.56) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL22528701 0.77 KDR (0.76) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL2434445 0.77 HCK (0.54) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2439580 0.77 KDR (0.65) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL1875364 0.77 KDR (0.80) KDRBRAFMAPK14TNNI3KFLT1

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