SCHEMBL2015211

SCHEMBL2015211

N#CC1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
ABCC1 P33527 1/20 0.32
METAP2 P50579 3/20 0.32
LMNA P02545 5/20 0.31
SMN1; SMN2 Q16637 5/20 0.31
HTT P42858 4/20 0.31
MAPK1 P28482 3/20 0.31
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
SLC40A1 Q9NP59 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
SCHEMBL2012932 0.95 ABCC1 (0.33) ABCC1METAP2LMNASMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL2016494 0.93 ATR (0.33) AXLLMNASMN1; SMN2HTTMAPT
Trifluoroacetic Acid SCHEMBL2013474 0.89 GPR6 (0.32) AXLMETAP2LMNASMN1; SMN2HTT
SCHEMBL2014980 0.88 SLC40A1 (0.38) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2014977 0.88 SLC40A1 (0.38) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2017050 0.87 SLC40A1 (0.40) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2016811 0.85 METAP2 (0.34) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2016501 0.84 KHK (0.36) METAP2LMNASMN1; SMN2HTTMAPK1
SCHEMBL2016578 0.84 CNR2 (0.38) L3MBTL1RAB9A
SCHEMBL2014572 0.84 AKT1 (0.38) ATR

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