SCHEMBL6674055

SCHEMBL6674055

COc1cc2c(Nc3cccc(N)c3)ncnc2cc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.82
RET P07949 6/20 0.82
RAF1 P04049 4/20 0.74
BRAF P15056 3/20 0.74
KIF5B P33176 2/20 0.69
EPHB2 P29323 2/20 0.69
FGFR1 P11362 1/20 0.69
FLT1 P17948 1/20 0.69
CDK2 P24941 1/20 0.69
PIK3R1 P27986 1/20 0.69
TTBK1 Q5TCY1 1/20 0.69
NOD1 Q9Y239 1/20 0.67
EGFR P00533 9/20 0.65
LCK P06239 2/20 0.64
AURKB Q96GD4 2/20 0.64
AURKA O14965 1/20 0.64
SRC P12931 3/20 0.63
GAK O14976 2/20 0.62
RIPK2 O43353 1/20 0.62
STK10 O94804 1/20 0.62

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
SCHEMBL5569018 0.90 KDR (1.00) KDRRETRAF1KIF5BEPHB2
Hydrochloric Acid SCHEMBL1507643 0.89 KDR (0.97) KDRRETRAF1KIF5BEPHB2
SCHEMBL13604745 0.89 EGFR (0.82) KDRRETRAF1BRAFKIF5B
SCHEMBL2100551 0.88 EGFR (0.82) KDRRETRAF1BRAFKIF5B
SCHEMBL6675906 0.88 KDR (0.73) KDRRETRAF1BRAFKIF5B
SCHEMBL22367405 0.87 EGFR (0.82) KDRRETKIF5BEPHB2FGFR1
SCHEMBL10101988 0.87 EGFR (0.82) KDRRETRAF1BRAFKIF5B
SCHEMBL15052226 0.85 BRAF (1.00) RAF1BRAF
SCHEMBL5239599 0.85 EGFR (0.80) KDRRETRAF1BRAFKIF5B
SCHEMBL13285584 0.84 EGFR (0.83) KDRRETRAF1BRAFKIF5B

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