SCHEMBL2018108

SCHEMBL2018108

CC(C)(C)[Si](C)(C)OC1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.38
LMNA P02545 11/20 0.36
NPSR1 Q6W5P4 10/20 0.36
MAPT P10636 9/20 0.36
SMN1; SMN2 Q16637 9/20 0.36
RAB9A P51151 9/20 0.36
KDM4E B2RXH2 9/20 0.36
TDP1 Q9NUW8 7/20 0.36
L3MBTL1 Q9Y468 7/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.36
NOD2 Q9HC29 1/20 0.36
HTT P42858 13/20 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
SCHEMBL2011771 0.86 METAP2 (0.41) METAP2LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2014319 0.86 METAP2 (0.37) METAP2LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2017653 0.83 METAP2 (0.40) METAP2LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2163337 0.82 ALDH1A1 (0.36) METAP2LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2019128 0.82 METAP2 (0.44) METAP2LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2013738 0.82 SMN1; SMN2 (0.39) METAP2LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2054007 0.82 METAP2 (0.31) METAP2LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL2164381 0.80 NPSR1 (0.42) LMNANPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL2015395 0.80 MAPT (0.44) METAP2LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2018508 0.79 KDM4E (0.43) METAP2LMNANPSR1MAPTSMN1; SMN2

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