SCHEMBL2012932

SCHEMBL2012932

N#CC1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.33
METAP2 P50579 3/20 0.33
LMNA P02545 6/20 0.32
SMN1; SMN2 Q16637 6/20 0.32
HTT P42858 6/20 0.32
MAPK1 P28482 4/20 0.32
MAPT P10636 6/20 0.32
KDM4E B2RXH2 5/20 0.32
NPSR1 Q6W5P4 5/20 0.32
TDP1 Q9NUW8 4/20 0.32
RAB9A P51151 4/20 0.32
KMT2A Q03164 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
USP2 O75604 1/20 0.32
NOD2 Q9HC29 1/20 0.32
GFER P55789 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MPI P34949 2/20 0.31
PIK3CD O00329 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
SCHEMBL2015211 0.95 AXL (0.32) ABCC1METAP2LMNASMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL2013474 0.93 GPR6 (0.32) METAP2LMNASMN1; SMN2HTTMAPT
SCHEMBL2017050 0.90 SLC40A1 (0.40) METAP2LMNASMN1; SMN2HTTMAPK1
Trifluoroacetic Acid SCHEMBL2016494 0.89 ATR (0.33) LMNASMN1; SMN2HTTMAPTKDM4E
SCHEMBL2014977 0.86 SLC40A1 (0.38) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2014980 0.86 SLC40A1 (0.38) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2051951 0.85 PIK3CD (0.35) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2013837 0.84 BTK (0.37) LMNASMN1; SMN2HTTMAPK1MAPT
SCHEMBL2016811 0.83 METAP2 (0.34) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2054007 0.83 METAP2 (0.31) METAP2LMNASMN1; SMN2HTTMAPK1

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