SCHEMBL8078243

SCHEMBL8078243

CC(=O)OCc1ccc(Cn2cc(C3=C(c4cn(C)c5ccccc45)C(=O)OC3=O)c3ccccc32)cc1OCOCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.35
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
SRC P12931 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK2 P24941 2/20 0.34
CCNA2 P20248 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34

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
SCHEMBL8078425 0.81 PRKCA (0.49) GSK3BCDK2PRKCBPRKCAPRKCH
SCHEMBL8073012 0.79 SIRT2 (0.47) CCNT1CDK9SIRT2GSK3AGSK3B
SCHEMBL8080139 0.78 PRKCA (0.53) GSK3BCDK2PRKCBPRKCAPRKCH
SCHEMBL8161873 0.73 CCNT1 (0.52) CCNT1CDK9GSK3AGSK3BCDK2
SCHEMBL8162860 0.71 CCNT1 (0.53) CCNT1CDK9SIRT2GSK3AGSK3B
SCHEMBL8078434 0.71 CYP3A4 (0.37) MAPT
SCHEMBL28764044 0.70 NPC1 (0.46) EGFRIGF1RSRCFLT4KDR
SCHEMBL30834692 0.65 CCNT1 (0.56) CCNT1CDK9SIRT2GSK3AGSK3B
SCHEMBL3155154 0.65 CCNT1 (0.58) CCNT1CDK9CDK2CCNA2PRKCA
SCHEMBL8075637 0.65 CCNT1 (0.50) CCNT1CDK9SIRT2GSK3BCDK2

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-6153641-A Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2000-11-28 US disclosed