SCHEMBL727933

SCHEMBL727933

CC1=CCC(c2nn(C(C)(C)CNC(=O)c3ccccc3)c3ncnc(N)c23)C=C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.62
RIPK2 O43353 2/20 0.52
BTK Q06187 3/20 0.36
ITK Q08881 2/20 0.35
KDR P35968 4/20 0.35
SRC P12931 2/20 0.35
EGFR P00533 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL726356 0.92 RET (0.57) RETRIPK2BTKKDRSRC
SCHEMBL726555 0.90 RET (0.60) RETRIPK2BTKSRCEGFR
SCHEMBL10098363 0.89 RET (0.61) RETRIPK2BTKKDRSRC
SCHEMBL728046 0.85 RET (0.69) RETRIPK2BTKKDRSRC
SCHEMBL726637 0.83 RET (0.76) RETRIPK2BTKKDRSRC
SCHEMBL726987 0.81 RET (0.71) RETRIPK2BTKKDRSRC
SCHEMBL728142 0.80 RET (0.57) RETRIPK2BTKKDRSRC
SCHEMBL726969 0.79 RET (0.77) RETRIPK2BTKKDRSRC
SCHEMBL726350 0.77 RET (0.66) RETRIPK2BTKKDRSRC
SCHEMBL726859 0.76 RIPK2 (0.86) RETRIPK2BTKKDRSRC

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