SCHEMBL23022191

SCHEMBL23022191

COc1cnc2c(ccn2COCC[Si](C)(C)C)c1CO

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.34
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL29507119 1.00 DGAT1 (0.34) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL18547508 0.83 DGAT1 (0.38) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL23022131 0.83 DGAT1 (0.35) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL23022193 0.78 DGAT1 (0.38) DGAT1
SCHEMBL2112413 0.77 DGAT1 (0.39) DGAT1BRD4CREBBP
SCHEMBL21632543 0.77 MAPT (0.35) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL16477538 0.76 PDE10A (0.35) EGFRIGF1RSRCFLT4KDR
SCHEMBL31554497 0.76 DGAT1 (0.38) DGAT1NPC1MAPTBRD4CREBBP
SCHEMBL20893945 0.75 ALDH1A1 (0.36) DGAT1FLT4KDR
SCHEMBL22761902 0.75 DGAT1 (0.35) DGAT1NPC1MAPTBRD4CREBBP

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-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed