SCHEMBL728243

SCHEMBL728243

Bc1ccc(C(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.71
KDR P35968 8/20 0.54
RET P07949 8/20 0.54
SRC P12931 5/20 0.54
EGFR P00533 4/20 0.54
BTK Q06187 4/20 0.54
ABL1 P00519 4/20 0.54
KDM4E B2RXH2 3/20 0.54
FYN P06241 3/20 0.54
LCK P06239 2/20 0.54
YES1 P07947 2/20 0.54
LYN P07948 2/20 0.54
PDGFRA P16234 2/20 0.54
PRKACA P17612 2/20 0.54
FRK P42685 2/20 0.54
MAPK9 P45984 2/20 0.54
CSNK1A1 P48729 2/20 0.54
CSNK1D P48730 2/20 0.54
BLK P51451 2/20 0.54
MAPK14 Q16539 2/20 0.54

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
SCHEMBL726762 0.93 RIPK2 (0.75) RIPK2KDRRETSRCEGFR
SCHEMBL726841 0.90 RIPK2 (0.71) RIPK2KDRRETSRCEGFR
SCHEMBL726591 0.87 RIPK2 (0.72) RIPK2KDRRETSRCEGFR
SCHEMBL726721 0.87 RIPK2 (0.77) RIPK2KDRRETSRCEGFR
SCHEMBL728152 0.86 RIPK2 (0.73) RIPK2KDRRETSRCEGFR
SCHEMBL728367 0.86 RIPK2 (0.82) RIPK2KDRRETSRCEGFR
SCHEMBL15114654 0.85 RIPK2 (0.91) RIPK2KDRRETSRCEGFR
SCHEMBL728531 0.85 RIPK2 (0.77) RIPK2KDRRETSRCEGFR
SCHEMBL728150 0.85 RIPK2 (0.77) RIPK2KDRRETSRCEGFR
SCHEMBL15114632 0.84 RIPK2 (0.73) RIPK2KDRRETSRCEGFR

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