SCHEMBL2533437

SCHEMBL2533437

CC1CO[C@H](CO)CN1c1cnc(N)nc1-c1ccc(C#N)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.39
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
NSD2 O96028 1/20 0.37
KDM1A O60341 10/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL2522497 0.82 KDM1A (0.44) MTORCYP11B1CYP11B2KDM1APIK3CD
SCHEMBL1317985 0.81 MTOR (0.45) MTORCYP11B1CYP11B2KDM1A
SCHEMBL1318676 0.75 MTOR (0.44) MTORCYP11B1CYP11B2KDM1A
SCHEMBL1317359 0.73 MTOR (0.45) MTORCYP11B1CYP11B2KDM1A
SCHEMBL2452185 0.73 MTOR (0.45) MTORCYP11B1CYP11B2KDM1A
SCHEMBL2446206 0.73 MTOR (0.45) MTORCYP11B1CYP11B2KDM1A
SCHEMBL1317478 0.69 MTOR (0.41) MTORCYP11B1CYP11B2KDM1A
SCHEMBL1317751 0.69 PDPK1 (0.41) MTORKDM1A
SCHEMBL1318413 0.68 PDPK1 (0.45) MTORKDM1A
SCHEMBL1317660 0.67 PDPK1 (0.51) MTORKDM1A

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-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed