SCHEMBL2437252

SCHEMBL2437252

CNc1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2ccc(C)c(C(F)(F)F)c2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.53
MAPK3 P27361 2/20 0.53
KDR P35968 14/20 0.52
BRAF P15056 5/20 0.51
MAPK14 Q16539 4/20 0.51
MKNK2 Q9HBH9 3/20 0.51
TNNI3K Q59H18 3/20 0.51
LCK P06239 3/20 0.51
MET P08581 3/20 0.51
TEK Q02763 3/20 0.51
MKNK1 Q9BUB5 2/20 0.51
MAP3K7 O43318 2/20 0.51
FES P07332 2/20 0.51
HCK P08631 2/20 0.51
FER P16591 2/20 0.51
MAP4K2 Q12851 2/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
MAP2K7 O14733 1/20 0.51
IKBKB O14920 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
SCHEMBL2435819 0.90 KDR (0.53) KDRBRAFMAPK14TNNI3KLCK
SCHEMBL2437401 0.87 KDR (0.62) RAF1MAPK3KDRBRAFMAPK14
SCHEMBL2435014 0.83 KDR (0.52) KDRLCKMETTEKFLT1
SCHEMBL2435232 0.81 KDR (0.54) KDRLCKMETTEK
SCHEMBL2432193 0.81 KDR (0.56) KDRBRAFMAPK14TNNI3KLCK
SCHEMBL2434058 0.81 KDR (0.53) KDRLCKMETTEK
SCHEMBL2708240 0.80 KDR (0.48) RAF1KDRTNNI3KLCKMET
SCHEMBL22528892 0.79 KDR (0.72) RAF1MAPK3KDRBRAFMAPK14
SCHEMBL2433093 0.78 KDR (0.64) RAF1MAPK3KDRBRAFMAPK14
SCHEMBL4282402 0.76 KDR (0.57) KDRBRAFMAPK14MKNK2TNNI3K

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