SCHEMBL2013539

SCHEMBL2013539

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LRRK2 Q5S007 1/20 0.32
BRAF P15056 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
PDPK1 O15530 1/20 0.31
RPS6KB1 P23443 1/20 0.31
KCNMA1 Q12791 1/20 0.31
SLC40A1 Q9NP59 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL2013535 1.00 LMNA (0.33) LMNAMAPK1HTTSMN1; SMN2CDC7
SCHEMBL2014977 0.90 SLC40A1 (0.38) LMNAMAPK1HTTSMN1; SMN2CDC7
SCHEMBL2014980 0.90 SLC40A1 (0.38) LMNAMAPK1HTTSMN1; SMN2CDC7
SCHEMBL2013942 0.90 HTT (0.45) LMNAMAPK1HTTSMN1; SMN2MAPT
SCHEMBL2017050 0.86 SLC40A1 (0.40) LMNAMAPK1HTTSMN1; SMN2CDC7
Trifluoroacetic Acid SCHEMBL2013515 0.86 SLC40A1 (0.36) LMNAHTTSMN1; SMN2MAPTL3MBTL1
SCHEMBL2051072 0.85 HTR1A (0.35) LMNAMAPK1HTTSMN1; SMN2MAPT
SCHEMBL2013531 0.81 PIK3CD (0.38) L3MBTL1LRRK2BRAF
SCHEMBL2014290 0.81 KDM4E (0.36) LMNAMAPTL3MBTL1KCNMA1SLC40A1
SCHEMBL2014289 0.81 KDM4E (0.36) LMNAMAPTL3MBTL1KCNMA1SLC40A1

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