SCHEMBL7120134

SCHEMBL7120134

COc1cc2ncnc(Nc3ncccc3O)c2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 15/20 0.71
KDR P35968 10/20 0.68
KIF5B P33176 9/20 0.68
EGFR P00533 5/20 0.66
JAK3 P52333 2/20 0.63
GAK O14976 1/20 0.63
RIPK2 O43353 1/20 0.63
STK10 O94804 1/20 0.63
FLT3 P36888 1/20 0.63
AAK1 Q2M2I8 1/20 0.63
Q6ZSR9 Q6ZSR9 1/20 0.63
SLK Q9H2G2 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.63
RPS6KA6 Q9UK32 1/20 0.63
ALK Q9UM73 1/20 0.63
FGFR1 P11362 1/20 0.62
FLT1 P17948 1/20 0.62
CDK2 P24941 1/20 0.62
PIK3R1 P27986 1/20 0.62
EPHB2 P29323 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
SCHEMBL7076160 0.83 RET (1.00) RETKDRKIF5BEGFRFLT1
SCHEMBL5864594 0.81 RET (1.00) RETKDRKIF5BEGFRFGFR1
SCHEMBL16760418 0.80 RET (1.00) RETKDRKIF5BEGFRFGFR1
SCHEMBL16785515 0.80 RET (1.00) RETKDRKIF5BEGFRFGFR1
SCHEMBL8976704 0.80 EGFR (1.00) RETKDREGFRRIPK2FLT1
SCHEMBL16760370 0.79 RET (1.00) RETKDRKIF5BEGFRFGFR1
SCHEMBL8522595 0.79 RET (0.71) RETKDRKIF5BEGFRJAK3
SCHEMBL16760410 0.79 RET (1.00) RETKDRKIF5BEGFRFGFR1
Hydrochloric Acid SCHEMBL16760376 0.79 RET (0.98) RETKDRKIF5BEGFRFGFR1
Hydrochloric Acid SCHEMBL16760380 0.78 RET (0.98) RETKDRKIF5BEGFRJAK3

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-6638939-B2 Anticancer agents PARKER HUGHES INSTITUTE 2003-10-28 US disclosed