SCHEMBL15569801

SCHEMBL15569801

CC(C)(C)c1cnc2c(n1)c(C(N)=O)cn2COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.39
NPC1 O15118 1/20 0.35
KLKB1 P03952 1/20 0.32
PIM1 P11309 1/20 0.32
TTK P33981 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAPT P10636 1/20 0.31
PKMYT1 Q99640 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
SCHEMBL14795161 0.82 DGAT1 (0.47) DGAT1KLKB1MAPT
SCHEMBL2346604 0.80 DGAT1 (0.36) DGAT1NPC1KLKB1MAPT
SCHEMBL12402542 0.77 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL650307 0.77 DGAT1 (0.42) DGAT1KLKB1MAPT
SCHEMBL15570073 0.77 DGAT1 (0.37) DGAT1MAPT
SCHEMBL12145882 0.76 KLKB1 (0.40) DGAT1KLKB1MAPT
SCHEMBL1370138 0.76 DGAT1 (0.38) DGAT1
SCHEMBL3428480 0.76 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL1352880 0.76 DGAT1 (0.42) DGAT1NPC1KLKB1MAPT
SCHEMBL14738023 0.76 DGAT1 (0.42) DGAT1NPC1KLKB1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888262-A1 PYRROLO[2,3-B]PYRAZINES AS SYK INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-07-01 EP disclosed
WO-2014029732-A1 PYRROLO[2,3-B]PYRAZINES AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-02-27 WO disclosed