SCHEMBL728046

SCHEMBL728046

CC1=CCC(c2nn(C(C)(C)CNC(N)=S)c3ncnc(N)c23)C=C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.69
RIPK2 O43353 3/20 0.40
SRC P12931 4/20 0.32
ABL1 P00519 3/20 0.32
BTK Q06187 3/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 2/20 0.32
KDR P35968 2/20 0.32
BLK P51451 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PLK4 O00444 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL728202 0.91 RET (0.69) RETRIPK2SRCABL1BTK
SCHEMBL726560 0.89 RET (0.69) RETRIPK2SRCABL1BTK
SCHEMBL726637 0.88 RET (0.76) RETRIPK2SRCABL1BTK
SCHEMBL726539 0.87 RET (0.66) RETRIPK2SRCBTKEGFR
SCHEMBL726987 0.85 RET (0.71) RETRIPK2SRCABL1BTK
SCHEMBL727933 0.85 RET (0.62) RETRIPK2SRCABL1BTK
SCHEMBL726543 0.85 RET (0.80) RETRIPK2SRCABL1BTK
SCHEMBL726356 0.84 RET (0.57) RETRIPK2SRCABL1BTK
SCHEMBL10098363 0.83 RET (0.61) RETRIPK2SRCABL1BTK
SCHEMBL726969 0.83 RET (0.77) RETRIPK2SRCABL1BTK

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