SCHEMBL726637

SCHEMBL726637

CNCC(C)(C)n1nc(C2C=CC(C)=CC2)c2c(N)ncnc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.76
RIPK2 O43353 5/20 0.39
SRC P12931 11/20 0.34
ABL1 P00519 6/20 0.34
FYN P06241 3/20 0.34
PRKACA P17612 3/20 0.34
CSNK1A1 P48729 3/20 0.34
MAPK14 Q16539 3/20 0.34
PRKD3 O94806 2/20 0.34
CSK P41240 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
EGFR P00533 2/20 0.34
LMNA P02545 2/20 0.34
LCK P06239 2/20 0.34
YES1 P07947 2/20 0.34
LYN P07948 2/20 0.34
PDGFRA P16234 2/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL726987 0.89 RET (0.71) RETRIPK2SRCABL1FYN
SCHEMBL726543 0.89 RET (0.80) RETRIPK2SRCABL1FYN
SCHEMBL728046 0.88 RET (0.69) RETRIPK2SRCABL1FYN
SCHEMBL728202 0.88 RET (0.69) RETRIPK2SRCABL1FYN
SCHEMBL726560 0.88 RET (0.69) RETRIPK2SRCABL1FYN
SCHEMBL726969 0.87 RET (0.77) RETRIPK2SRCABL1FYN
SCHEMBL19763994 0.86 RET (1.00) RETRIPK2SRCABL1FYN
SCHEMBL726539 0.85 RET (0.66) RETRIPK2SRCEGFRLCK
SCHEMBL727933 0.83 RET (0.62) RETRIPK2SRCABL1EGFR
SCHEMBL10098363 0.82 RET (0.61) RETRIPK2SRCABL1EGFR

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-2012003544-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-12 WO disclosed