SCHEMBL6675906

SCHEMBL6675906

COc1cc2c(Nc3ccc(N)cc3)ncnc2cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.73
RET P07949 6/20 0.73
KIF5B P33176 4/20 0.73
EGFR P00533 10/20 0.72
RIPK2 O43353 2/20 0.72
JAK3 P52333 2/20 0.72
GAK O14976 1/20 0.72
STK10 O94804 1/20 0.72
FLT3 P36888 1/20 0.72
AAK1 Q2M2I8 1/20 0.72
Q6ZSR9 Q6ZSR9 1/20 0.72
SLK Q9H2G2 1/20 0.72
IRAK4 Q9NWZ3 1/20 0.72
RPS6KA6 Q9UK32 1/20 0.72
ALK Q9UM73 1/20 0.72
LCK P06239 3/20 0.70
AURKB Q96GD4 2/20 0.67
AURKA O14965 1/20 0.65
RAF1 P04049 2/20 0.65
BRAF P15056 2/20 0.65

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
SCHEMBL20792806 0.91 EGFR (0.87) KDRRETKIF5BEGFRRIPK2
SCHEMBL3533221 0.91 EGFR (0.80) KDRRETKIF5BEGFRRIPK2
SCHEMBL14159636 0.90 KDR (0.73) KDRRETKIF5BEGFRRIPK2
Hydrochloric Acid SCHEMBL8871198 0.89 EGFR (0.80) KDRRETKIF5BEGFRRIPK2
SCHEMBL13604745 0.88 EGFR (0.82) KDRRETKIF5BEGFRRIPK2
SCHEMBL6674055 0.88 KDR (0.82) KDRRETKIF5BEGFRRIPK2
SCHEMBL4970955 0.86 RET (0.68) KDRRETKIF5BEGFRRIPK2
SCHEMBL6689820 0.85 AURKB (0.73) KDRRETKIF5BEGFRRIPK2
SCHEMBL907182 0.85 KDR (0.77) KDRRETKIF5BEGFRRIPK2
SCHEMBL14964757 0.85 EGFR (0.81) KDRRETKIF5BEGFRRIPK2

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
WO-2004040003-A2 NUCLEOTIDE-BINDING PROTEIN-DIRECTED PROBES AND METHODS OF THEIR SYNTHESIS AND USE ACTIVX BIOSCIENCES, INC. (US) 2004-05-13 WO disclosed