SCHEMBL15079563

SCHEMBL15079563

CC(=O)Nc1cc(BOC(C)(C)C(C)(C)O)c(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.37
PTK2 Q05397 1/20 0.35
PIK3C3 Q8NEB9 7/20 0.34
CRBN Q96SW2 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.32
EGFR P00533 1/20 0.32
MAP3K5 Q99683 1/20 0.32
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL14978738 0.77 PTK2 (0.48) L3MBTL1PTK2NPC1RAB9ASMN1; SMN2
SCHEMBL21394879 0.77 GSK3B (0.40) ABL1MAP4K1
SCHEMBL21757902 0.72
SCHEMBL8328931 0.70 L3MBTL1 (0.59) L3MBTL1ABL1PTK2PIK3C3CRBN
SCHEMBL29311778 0.70
SCHEMBL15601633 0.68 TDP1 (0.34) NPC1RAB9AFGFR1GAA
SCHEMBL19073506 0.68 KDM4E (0.43) SMN1; SMN2
SCHEMBL30755633 0.67 AAK1 (0.44) L3MBTL1ABL1PTK2PIK3C3NPC1
SCHEMBL20861632 0.67 L3MBTL1 (0.53) L3MBTL1ABL1PTK2PIK3C3CRBN
SCHEMBL20772436 0.67 L3MBTL1 (0.53) L3MBTL1ABL1PTK2PIK3C3CRBN

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-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed