SCHEMBL2437406

SCHEMBL2437406

Nc1cc(Oc2ccc3c(c2)OCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.63
BRAF P15056 13/20 0.63
MAPK14 Q16539 12/20 0.63
TNNI3K Q59H18 12/20 0.63
FLT1 P17948 1/20 0.58
FLT4 P35916 1/20 0.58
CDK8 P49336 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
SCHEMBL2435957 0.92 KDR (0.62) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2434322 0.91 KDR (0.51) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2433093 0.88 KDR (0.64) KDRBRAFMAPK14TNNI3K
SCHEMBL2433250 0.86 KDR (0.60) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2435966 0.86 KDR (0.57) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2434342 0.84 KDR (0.60) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL12972237 0.82 KDR (0.62) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL12972263 0.82 KDR (0.62) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4282402 0.81 KDR (0.57) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL10261459 0.80 KDR (0.52) KDRBRAFMAPK14TNNI3K

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