SCHEMBL726591

SCHEMBL726591

Bc1ccnc(C(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.72
RET P07949 11/20 0.53
KDR P35968 11/20 0.53
EGFR P00533 4/20 0.53
BTK Q06187 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ABL1 P00519 3/20 0.53
SRC P12931 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
LCK P06239 2/20 0.53
FYN P06241 2/20 0.53
YES1 P07947 2/20 0.53
LYN P07948 2/20 0.53
PDGFRA P16234 2/20 0.53
PRKACA P17612 2/20 0.53
FRK P42685 2/20 0.53
HTT P42858 2/20 0.53
MAPK9 P45984 2/20 0.53
CSNK1A1 P48729 2/20 0.53

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
SCHEMBL728150 0.93 RIPK2 (0.77) RIPK2RETKDREGFRBTK
SCHEMBL726638 0.90 RIPK2 (0.72) RIPK2RETKDREGFRBTK
SCHEMBL726858 0.90 RIPK2 (0.72) RIPK2RETKDREGFRBTK
SCHEMBL726399 0.89 RIPK2 (0.71) RIPK2RETKDREGFRBTK
SCHEMBL726666 0.88 RIPK2 (0.70) RIPK2RETKDREGFRBTK
SCHEMBL726721 0.88 RIPK2 (0.77) RIPK2RETKDREGFRBTK
SCHEMBL728243 0.87 RIPK2 (0.71) RIPK2RETKDREGFRBTK
SCHEMBL15114632 0.87 RIPK2 (0.73) RIPK2RETKDREGFRBTK
SCHEMBL727113 0.86 RIPK2 (0.67) RIPK2RETKDREGFRBTK
SCHEMBL728531 0.86 RIPK2 (0.77) RIPK2RETKDREGFRBTK

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