SCHEMBL13618151

SCHEMBL13618151

C=Cc1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.68
BRAF P15056 19/20 0.66
KDR P35968 2/20 0.55
STK25 O00506 1/20 0.49
CIT O14578 1/20 0.49
EPHB6 O15197 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
PAK3 O75914 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
HCK P08631 1/20 0.49

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
SCHEMBL2895305 0.90 RAF1 (0.71) RAF1BRAFKDR
SCHEMBL13838689 0.88 RAF1 (0.66) RAF1BRAFKDRSTK25CIT
SCHEMBL2895248 0.87 RAF1 (0.67) RAF1BRAFKDR
SCHEMBL13211124 0.87 RAF1 (0.67) RAF1BRAFKDR
SCHEMBL2895251 0.87 RAF1 (0.67) RAF1BRAFKDR
SCHEMBL13211138 0.86 RAF1 (0.64) RAF1BRAFKDRSTK25CIT
SCHEMBL13211387 0.86 RAF1 (0.72) RAF1BRAFKDR
SCHEMBL3125119 0.84 RAF1 (0.68) RAF1BRAFKDR
SCHEMBL2906212 0.84 RAF1 (0.70) RAF1BRAFKDRSTK25CIT
SCHEMBL2901751 0.82 RAF1 (0.71) RAF1BRAFKDR

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