SCHEMBL2599076

SCHEMBL2599076

CN1CC2CNC(=O)c3cc(-c4ccc(F)c(F)c4)ccc3C2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIA2 P42262 1/20 0.33
CREBBP Q92793 1/20 0.33
PGR P06401 4/20 0.33
PIM2 Q9P1W9 3/20 0.33
GRM2 Q14416 1/20 0.32
FYN P06241 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
WNT1 P04628 1/20 0.31
DYRK1A Q13627 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
AKT1 P31749 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
SCHEMBL2599078 1.00 PIM1 (0.36) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL860932 1.00 PIM1 (0.36) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL1805029 1.00 PIM1 (0.36) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL1804971 0.92 CLK4 (0.33) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL1804967 0.92 CLK4 (0.33) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL1804970 0.92 CLK4 (0.33) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL1804240 0.91 PIM1 (0.47) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL1804237 0.91 PIM1 (0.47) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL1804241 0.91 PIM1 (0.47) PIM1CLK4DAPK3NTRK1FLT3
SCHEMBL2599125 0.89 HRH3 (0.38) PIM1CLK4MEN1KMT2AGRM2

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