SCHEMBL29936376

SCHEMBL29936376

C[Si](C)(C)CCOCn1cc(C(=O)NCCC(F)(F)F)c2nc(Br)cnc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.42
SPR P35270 1/20 0.34
TTK P33981 4/20 0.33
CFTR P13569 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK3 P52333 1/20 0.32
MAPT P10636 1/20 0.31
GSK3B P49841 2/20 0.31
DYRK1A Q13627 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 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
SCHEMBL20598748 1.00 DGAT1 (0.42) DGAT1SPRTTKCFTRPDE10A
SCHEMBL20617454 0.90 SPR (0.34) DGAT1SPRTTKCFTRPDE10A
SCHEMBL1371876 0.89 POLB (0.39) DGAT1ALDH1A1MEN1TSHRKMT2A
SCHEMBL1369168 0.86 DGAT1 (0.39) DGAT1ALDH1A1MEN1TSHRKMT2A
SCHEMBL1696885 0.86 DGAT1 (0.38) DGAT1
SCHEMBL13858243 0.85 DGAT1 (0.40) DGAT1MAPT
SCHEMBL1371873 0.84 DGAT1 (0.39) DGAT1ALDH1A1JAK3MAPT
SCHEMBL1370137 0.83 DGAT1 (0.38) DGAT1MAPTKDM4E
SCHEMBL1372546 0.82 DGAT1 (0.41) DGAT1ALDH1A1TSHRMAPTKDM4E
SCHEMBL14738401 0.82 DGAT1 (0.39) 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
EP-3288943-B1 PYRROLO[2,3-B]PYRAZINYL ACRYLAMIDES AND EPOXIDES THEREOF AS INHIBITORS OF JANUS KINASE PFIZER (US) 2022-09-28 EP disclosed