SCHEMBL29513802

SCHEMBL29513802

C[Si](C)(C)CCOCn1cc(-c2cccnc2N)c2ccc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.41
AKT2 P31751 6/20 0.41
AKT3 Q9Y243 3/20 0.41
DGAT1 O75907 2/20 0.33
PDE10A Q9Y233 2/20 0.33
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL25346421 1.00 AKT1 (0.41) AKT1AKT2AKT3DGAT1PDE10A
SCHEMBL25345729 0.87 RAB9A (0.36) DGAT1PDE10AMAPTEGFRIGF1R
SCHEMBL29513537 0.87 RAB9A (0.36) DGAT1PDE10AMAPTEGFRIGF1R
SCHEMBL29514144 0.86 DYRK1A (0.35) DGAT1PDE10AMAPTEGFRIGF1R
SCHEMBL25345996 0.86 DYRK1A (0.35) DGAT1PDE10AMAPTEGFRIGF1R
SCHEMBL29513687 0.86 METAP2 (0.36) DGAT1
SCHEMBL25345873 0.86 METAP2 (0.36) DGAT1
SCHEMBL25346910 0.84 DGAT1 (0.34) DGAT1PDE10AMAPTEGFRIGF1R
SCHEMBL25345529 0.83 DGAT1 (0.33) DGAT1MAPT
SCHEMBL29514016 0.83 DGAT1 (0.33) DGAT1MAPT

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-2022076973-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed