SCHEMBL2014980

SCHEMBL2014980

OC1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.38
METAP2 P50579 3/20 0.35
LMNA P02545 6/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
MAPK1 P28482 4/20 0.34
RAB9A P51151 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HTT P42858 5/20 0.33
ALDH1A1 P00352 1/20 0.33
MPI P34949 1/20 0.33
HSP90AA1 P07900 2/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33

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
SCHEMBL2014977 1.00 SLC40A1 (0.38) SLC40A1METAP2LMNASMN1; SMN2MAPT
SCHEMBL2017050 0.96 SLC40A1 (0.40) SLC40A1METAP2LMNASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL2013515 0.93 SLC40A1 (0.36) SLC40A1METAP2LMNASMN1; SMN2MAPT
SCHEMBL2013535 0.90 LMNA (0.33) SLC40A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL2013539 0.90 LMNA (0.33) SLC40A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL2015211 0.88 AXL (0.32) SLC40A1METAP2LMNASMN1; SMN2MAPT
SCHEMBL2016501 0.88 KHK (0.36) METAP2LMNASMN1; SMN2MAPTKDM4E
SCHEMBL2018027 0.87 HTT (0.38) SLC40A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL2016811 0.87 METAP2 (0.34) METAP2LMNASMN1; SMN2MAPTKDM4E
SCHEMBL2016578 0.87 CNR2 (0.38) RAB9AL3MBTL1STK4STK3LRRK2

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