SCHEMBL2018027

SCHEMBL2018027

OC1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3ccccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.38
LMNA P02545 5/20 0.38
MAPK1 P28482 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
GFER P55789 1/20 0.37
PDPK1 O15530 2/20 0.35
RPS6KB1 P23443 2/20 0.35
STK3 Q13188 2/20 0.35
STK4 Q13043 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKA O14965 2/20 0.34
JAK2 O60674 2/20 0.34
AURKB Q96GD4 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL2017050 0.91 SLC40A1 (0.40) HTTLMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL2014980 0.87 SLC40A1 (0.38) HTTLMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL2014977 0.87 SLC40A1 (0.38) HTTLMNAMAPK1SMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL2013515 0.82 SLC40A1 (0.36) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL2012932 0.81 ABCC1 (0.33) HTTLMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9953251 0.81 PIK3CD (0.33) HTTLMNASMN1; SMN2MAPTSTK3
SCHEMBL2013837 0.80 BTK (0.37) HTTLMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL2013539 0.79 LMNA (0.33) HTTLMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL2013535 0.79 LMNA (0.33) HTTLMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL2015211 0.79 AXL (0.32) HTTLMNAMAPK1SMN1; SMN2L3MBTL1

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