SCHEMBL20140299

SCHEMBL20140299

N#Cc1cccnc1N1CCN(C(=O)c2cc(C=O)c(F)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PARP1 P09874 6/20 0.52
RECQL P46063 1/20 0.47
HDAC2 Q92769 2/20 0.47
PANK3 Q9H999 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
PARP2 Q9UGN5 3/20 0.46
PARP3 Q9Y6F1 3/20 0.46
CFTR P13569 1/20 0.45

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
SCHEMBL20140663 0.84 SMN1; SMN2 (0.51) KDM4EALDH1A1PARP1CFTR
SCHEMBL20139883 0.80 MTOR (0.54) KDM4EALDH1A1TDP1PARP1HDAC2
SCHEMBL20156981 0.76 MTOR (0.58) KDM4EALDH1A1TDP1PARP1MALT1
SCHEMBL20140694 0.75 MTOR (0.50) ALDH1A1PARP1CFTR
SCHEMBL5901321 0.75 KDM4E (0.68) KDM4EALDH1A1TDP1RECQLHDAC2
SCHEMBL3576933 0.74 SLC6A7 (0.65) KDM4EALDH1A1TDP1PARP1RECQL
SCHEMBL14566007 0.74 KDM4E (0.62) KDM4EALDH1A1TDP1RECQLHDAC2
SCHEMBL13862949 0.74 KDM4E (0.65) KDM4EALDH1A1TDP1PARP1RECQL
SCHEMBL29678394 0.74 KDM4E (0.65) KDM4EALDH1A1TDP1PARP1RECQL
SCHEMBL6235112 0.73 KDM4E (0.61) KDM4EALDH1A1TDP1PARP1RECQL

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed