SCHEMBL2054007

SCHEMBL2054007

CC(C)(C)[Si](C)(C)OC1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
MMP2 P08253 1/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL2017050 0.86 SLC40A1 (0.40) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2164054 0.84 PIK3CD (0.42) LMNAL3MBTL1MAPTHTTPIK3CD
SCHEMBL2012932 0.83 ABCC1 (0.33) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2014980 0.83 SLC40A1 (0.38) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2014977 0.83 SLC40A1 (0.38) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2018108 0.82 METAP2 (0.38) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2051951 0.81 PIK3CD (0.35) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2012342 0.81 MAPT (0.42) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2017831 0.81 METAP2 (0.38) METAP2LMNAMAPK1L3MBTL1MAPT
SCHEMBL2015211 0.81 AXL (0.32) METAP2LMNAMAPK1L3MBTL1MAPT

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed