SCHEMBL8991269

SCHEMBL8991269

CC(C)(C)c1ccc(Cn2cc(C(N)=[Se])c3c(N)ncnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
FLT3 P36888 1/20 0.39
RET P07949 13/20 0.39
F2R P25116 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL7704452 0.89 HTT (0.41) PI4KAPI4K2BPI4K2API4KBFLT3
SCHEMBL7700399 0.89 FLT3 (0.45) PI4KAPI4K2BPI4K2API4KBFLT3
SCHEMBL8991019 0.87 KDM4E (0.41) PI4KAPI4K2BPI4K2API4KBFLT3
SCHEMBL8991141 0.87 PDE4A (0.38) FLT3RETF2RABL1SRC
SCHEMBL8991292 0.84 ADORA2A (0.51) PI4KAPI4K2BPI4K2API4KBFLT3
SCHEMBL8991089 0.84 EGFR (0.45) PI4KAPI4K2BPI4K2API4KBABL1
SCHEMBL7704457 0.79 FLT3 (0.41) PI4KAPI4K2BPI4K2API4KBFLT3
SCHEMBL8991275 0.79 FLT3 (0.43) PI4KAPI4K2BPI4K2API4KBFLT3
SCHEMBL8991101 0.79 RIPK2 (0.42) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL8991371 0.78 MAPK1 (0.44) PI4KAPI4K2BPI4K2API4KBRET

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
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed