SCHEMBL20140106

SCHEMBL20140106

Cc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1C(=O)N1CCN(c2cccc(C#N)n2)C[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.47
PARP1 P09874 2/20 0.42
TNK2 Q07912 1/20 0.42
TNK1 Q13470 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM4 P08173 6/20 0.40
DRD4 P21917 1/20 0.39
HSD11B1 P28845 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
RECQL P46063 1/20 0.37
GPR6 P46095 1/20 0.37

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
SCHEMBL20157345 0.92 CHRM4 (0.41) GRM1PARP1CHRM4GPR6
SCHEMBL20157350 0.92 CHRM4 (0.41) GRM1PARP1CHRM4GPR6
SCHEMBL20157311 0.91 GRM1 (0.43) GRM1PARP1TNK2TNK1KDM4E
SCHEMBL20157300 0.90 MTOR (0.43) GRM1PARP1KDM4EALDH1A1CHRM4
SCHEMBL20157302 0.90 MTOR (0.43) GRM1PARP1KDM4EALDH1A1CHRM4
SCHEMBL20140262 0.88 KDM4E (0.49) PARP1TNK2TNK1KDM4EALDH1A1
SCHEMBL20141840 0.88 GRM1 (0.49) GRM1PARP1TNK2TNK1KDM4E
SCHEMBL20157004 0.83 CHRM4 (0.47) GRM1KDM4EALDH1A1CHRM4
SCHEMBL20157005 0.83 CHRM4 (0.47) GRM1KDM4EALDH1A1CHRM4
SCHEMBL20157309 0.82 MTOR (0.47) GRM1PARP1TNK2TNK1CHRM4

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