SCHEMBL6089552

SCHEMBL6089552

CCOC(=O)c1c[nH]c(/C=C2/C(=O)NN=C2CCc2ccc(N)cc2)c1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT3 P36888 1/20 0.36
ALK Q9UM73 1/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 2/20 0.34
GABRB1 P18505 2/20 0.34

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
SCHEMBL6089558 1.00 JAK2 (0.40) JAK2JAK3GABRA1GABRB2ABL1
SCHEMBL6091985 0.91 JAK2 (0.38) JAK2JAK3GABRA1GABRB2ABL1
SCHEMBL6091976 0.91 JAK2 (0.38) JAK2JAK3GABRA1GABRB2ABL1
SCHEMBL6089176 0.90 SMN1; SMN2 (0.42) JAK2JAK3GABRA1GABRB2ABL1
SCHEMBL6089181 0.90 SMN1; SMN2 (0.42) JAK2JAK3GABRA1GABRB2ABL1
SCHEMBL6088802 0.84 ABL1 (0.54) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090270 0.81 LMNA (0.40) JAK2JAK3GABRA1GABRB2LMNA
SCHEMBL6090279 0.81 LMNA (0.40) JAK2JAK3GABRA1GABRB2LMNA
SCHEMBL6089849 0.81 HTR6 (0.41) GABRA1GABRB2ABL1RETPDGFRB
SCHEMBL6089845 0.81 HTR6 (0.41) GABRA1GABRB2ABL1RETPDGFRB

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
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed