SCHEMBL9953176

SCHEMBL9953176

Cc1c(Cl)cc(CCN)c(-c2cccc(F)c2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 6/20 0.39
FBP1 P09467 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MGMT P16455 1/20 0.32
POLB P06746 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
KAT2B Q92831 1/20 0.32
CYP1A2 P05177 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2017946 0.84 LMNA (0.37) LMNAFBP1MAPTKMT2AMEN1
SCHEMBL9929067 0.78 PIK3CD (0.37) LMNAFBP1GRIN2DGRIN3BGRIN1
SCHEMBL9953794 0.78 TAAR1 (0.40) TAAR1GRIN2B
SCHEMBL9953835 0.78 TAAR1 (0.38) TAAR1GRIN1
SCHEMBL9952399 0.78 TAAR1 (0.38) TAAR1GRIN2BCYP1A2
SCHEMBL9952729 0.77 PIK3CD (0.44) TAAR1KMT2AMEN1
SCHEMBL2017942 0.77 FBP1 (0.40) LMNAFBP1MAPTKMT2AMEN1
SCHEMBL9960500 0.77 PIK3CD (0.40) MAPTKMT2AMEN1POLBGSK3A
SCHEMBL9953114 0.76 TAAR1 (0.38) TAAR1MAPTKMT2AMEN1
SCHEMBL2012666 0.73 TAAR1 (0.47) TAAR1KMT2A

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
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed