SCHEMBL16667477

SCHEMBL16667477

CN(C(=O)O)c1ccc(-c2nc(N3CCOCC3)nc3c2cnn3CC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.49
MTOR P42345 12/20 0.49
PIK3R1 P27986 1/20 0.40
PIK3CD O00329 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HTR2C P28335 1/20 0.36

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
SCHEMBL16667455 0.86 MTOR (0.46) PIK3CAMTORPIK3R1PIK3CDHDAC3
SCHEMBL16684484 0.84 MTOR (0.59) PIK3CAMTORPIK3CD
SCHEMBL1360482 0.82 MTOR (0.59) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL1358946 0.74 MTOR (0.43) PIK3CAMTORPIK3R1HDAC3HDAC4
SCHEMBL2599579 0.73 MTOR (0.69) PIK3CAMTOR
SCHEMBL1357920 0.73 MTOR (0.55) PIK3CAMTORPIK3R1
SCHEMBL7913091 0.72 MTOR (0.58) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL55599 0.72 PIK3CA (0.70) PIK3CAMTORPIK3CD
SCHEMBL16667575 0.71 MTOR (0.56) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL4996501 0.71 PIK3CA (0.62) PIK3CAMTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP claimed