SCHEMBL8991089

SCHEMBL8991089

COc1ccc(Cn2cc(C(N)=[Se])c3c(N)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
SRC P12931 8/20 0.43
ABL1 P00519 5/20 0.43
ABL2 P42684 4/20 0.43
KDR P35968 4/20 0.42
NSD3 Q9BZ95 1/20 0.41
RIPK2 O43353 3/20 0.41
TEK Q02763 2/20 0.41
LCK P06239 1/20 0.41
PI4KB Q9UBF8 2/20 0.41
PIK3CD O00329 1/20 0.41
HCK P08631 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
EPHB4 P54760 1/20 0.41
PRKDC P78527 1/20 0.41
HPGD P15428 1/20 0.39
PI4KA P42356 1/20 0.39

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
SCHEMBL7701895 0.89 EGFR (0.45) EGFRSRCABL1ABL2KDR
SCHEMBL7705467 0.89 EGFR (0.45) EGFRSRCABL1ABL2KDR
SCHEMBL8991019 0.87 KDM4E (0.41) EGFRSRCABL1KDRRIPK2
SCHEMBL8991138 0.86 ABL1 (0.43) ABL1HPGD
SCHEMBL8991292 0.84 ADORA2A (0.51) EGFRSRCABL1ABL2KDR
SCHEMBL8991269 0.84 PI4KA (0.39) SRCABL1PI4KBPIK3CDPIK3CA
SCHEMBL7705468 0.79 EGFR (0.43) EGFRSRCABL1ABL2KDR
SCHEMBL8991091 0.79 EGFR (0.43) EGFRSRCABL1ABL2KDR
SCHEMBL8991101 0.79 RIPK2 (0.42) EGFRSRCABL1ABL2KDR
SCHEMBL7701968 0.78 RIPK2 (0.45) EGFRSRCABL1ABL2KDR

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