SCHEMBL2016811

SCHEMBL2016811

[CH]C1CCCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.34
LMNA P02545 5/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
HTT P42858 4/20 0.32
MAPK1 P28482 3/20 0.32
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
USP2 O75604 1/20 0.31
NOD2 Q9HC29 1/20 0.31
GFER P55789 1/20 0.31
PIK3CD O00329 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MPI P34949 1/20 0.31
HSP90AA1 P07900 1/20 0.31
BTK Q06187 6/20 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
SCHEMBL2016501 0.89 KHK (0.36) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2014980 0.87 SLC40A1 (0.38) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2014977 0.87 SLC40A1 (0.38) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2017050 0.86 SLC40A1 (0.40) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2015211 0.85 AXL (0.32) METAP2LMNASMN1; SMN2HTTMAPK1
Trifluoroacetic Acid SCHEMBL2013265 0.84 KHK (0.33) METAP2BTK
SCHEMBL2012932 0.83 ABCC1 (0.33) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2013366 0.83 CCR4 (0.37) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2013837 0.83 BTK (0.37) LMNASMN1; SMN2HTTMAPK1MAPT
SCHEMBL2014572 0.83 AKT1 (0.38)

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