SCHEMBL2599052

SCHEMBL2599052

CC(C)c1ccc(-c2ccc3c(c2)C(=O)NC[C@H]2CN(C)CC32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 2/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MST1R Q04912 1/20 0.33
NTRK3 Q16288 1/20 0.33
CAMK1D Q8IU85 1/20 0.33
GRIA2 P42262 7/20 0.32
PTPN5 P54829 1/20 0.32
KCNH2 Q12809 5/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CLK4 Q9HAZ1 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
SCHEMBL1806277 1.00 NTRK2 (0.33) NTRK2JAK2NTRK1METFGFR1
SCHEMBL1806279 1.00 NTRK2 (0.33) NTRK2JAK2NTRK1METFGFR1
SCHEMBL2599050 1.00 NTRK2 (0.33) NTRK2JAK2NTRK1METFGFR1
SCHEMBL1803783 0.91 RXRA (0.36) NTRK2JAK2GRIA2PTPN5KCNH2
SCHEMBL1803782 0.91 RXRA (0.36) NTRK2JAK2GRIA2PTPN5KCNH2
SCHEMBL1803785 0.91 RXRA (0.36) NTRK2JAK2GRIA2PTPN5KCNH2
SCHEMBL860194 0.91 HPGD (0.36) L3MBTL1CDC7PIM1
SCHEMBL860195 0.91 HPGD (0.36) L3MBTL1CDC7PIM1
SCHEMBL860649 0.87 CLK4 (0.38) NTRK2JAK2NTRK1METFGFR1
SCHEMBL861248 0.87 CLK4 (0.44) NTRK2BRD4CLK4DYRK1BFYN

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-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed