SCHEMBL726539

SCHEMBL726539

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 16/20 0.66
RIPK2 O43353 2/20 0.42
LCK P06239 2/20 0.35
SRC P12931 2/20 0.35
EGFR P00533 2/20 0.32
ERBB2 P04626 1/20 0.32
BLK P51451 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
KDR P35968 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
SCHEMBL726560 0.90 RET (0.69) RETRIPK2LCKSRCEGFR
SCHEMBL728202 0.87 RET (0.69) RETRIPK2LCKSRCEGFR
SCHEMBL728046 0.87 RET (0.69) RETRIPK2LCKSRCEGFR
SCHEMBL727933 0.86 RET (0.62) RETRIPK2SRCEGFRBTK
SCHEMBL726637 0.85 RET (0.76) RETRIPK2LCKSRCEGFR
SCHEMBL726987 0.85 RET (0.71) RETRIPK2LCKSRCEGFR
SCHEMBL726350 0.84 RET (0.66) RETRIPK2LCKSRCEGFR
SCHEMBL10098363 0.84 RET (0.61) RETRIPK2SRCEGFRBTK
SCHEMBL726555 0.84 RET (0.60) RETRIPK2SRCEGFRBTK
SCHEMBL726543 0.82 RET (0.80) RETRIPK2LCKSRCEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590982-B1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INST OF MEDICAL RES (AU) 2017-08-23 EP disclosed
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