SCHEMBL23847697

SCHEMBL23847697

Cc1cn(C2CCC3(CC2)OCCO3)c2ncnc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.48
RIPK2 O43353 6/20 0.47
SRC P12931 9/20 0.45
ABL1 P00519 6/20 0.45
RET P07949 6/20 0.45
LCK P06239 2/20 0.45
FLT3 P36888 2/20 0.45
DAPK3 O43293 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL1443714 0.85 ADK (0.54) ADKRIPK2SRCABL1RET
SCHEMBL24072104 0.84 RIPK2 (0.61) ADKRIPK2SRCABL1RET
SCHEMBL19264162 0.82 SRC (0.61) ADKRIPK2SRCABL1RET
SCHEMBL10261381 0.78 FGR (0.57) ADKRIPK2SRCABL1RET
SCHEMBL14644244 0.78 RIPK2 (0.52) ADKRIPK2SRCABL1RET
SCHEMBL10261916 0.78 ADK (0.55) ADKRIPK2SRCABL1RET
SCHEMBL6866525 0.76 SRC (0.56) RIPK2SRCABL1RETLCK
SCHEMBL6868323 0.76 RIPK2 (0.56) RIPK2SRCABL1RETLCK
SCHEMBL6867460 0.76 RIPK2 (0.72) RIPK2SRCABL1RETLCK
SCHEMBL6868558 0.75 LCK (0.77) SRCABL1RETLCKFLT3

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-2021188417-A1 COMPOUNDS FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA FLASH THERAPEUTICS, LLC (US) 2021-09-23 WO disclosed