SCHEMBL13618148

SCHEMBL13618148

CNC(=O)c1cc(Oc2ccc3c(c2)nc(N(C)c2cc(C(F)(F)F)ccc2Oc2ccccc2OC)n3C)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.58
BRAF P15056 15/20 0.58
KDR P35968 3/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 1/20 0.45
ROS1 P08922 1/20 0.45
SRC P12931 1/20 0.45
RPS6KB1 P23443 1/20 0.45

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
SCHEMBL3845288 0.86 BRAF (0.70) RAF1BRAFKDRLCKFYN
SCHEMBL2895137 0.81 RAF1 (0.76) RAF1BRAFKDRLCKFYN
SCHEMBL13719454 0.78 BRAF (0.72) RAF1BRAFKDRLCKFYN
SCHEMBL13838695 0.77 RAF1 (0.67) RAF1BRAFKDRLCKFYN
SCHEMBL13210289 0.76 RAF1 (0.79) RAF1BRAFKDRLCKFYN
SCHEMBL2892682 0.75 RAF1 (0.60) RAF1BRAFKDRLCKFYN
SCHEMBL2885904 0.75 BRAF (0.72) RAF1BRAFKDRLCKFYN
SCHEMBL13209869 0.75 BRAF (0.78) RAF1BRAFKDRLCKFYN
SCHEMBL2889830 0.74 BRAF (1.00) RAF1BRAFKDRLCKFYN
SCHEMBL2892492 0.74 RAF1 (0.70) RAF1BRAFKDRLCKFYN

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
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed