SCHEMBL6091985

SCHEMBL6091985

CCOC(=O)c1c[nH]c(C=C2C(=O)NN=C2CCc2ccc(O)cc2)c1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
ALOX5 P09917 2/20 0.37
ABL1 P00519 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT3 P36888 1/20 0.37
ALK Q9UM73 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GABRB1 P18505 2/20 0.34
GABRA3 P34903 2/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 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
SCHEMBL6091976 1.00 JAK2 (0.38) JAK2JAK3GABRA1GABRB2ALOX5
SCHEMBL6089558 0.91 JAK2 (0.40) JAK2JAK3GABRA1GABRB2ABL1
SCHEMBL6089552 0.91 JAK2 (0.40) JAK2JAK3GABRA1GABRB2ABL1
SCHEMBL6089181 0.91 SMN1; SMN2 (0.42) JAK2JAK3GABRA1GABRB2ALOX5
SCHEMBL6089176 0.91 SMN1; SMN2 (0.42) JAK2JAK3GABRA1GABRB2ALOX5
SCHEMBL6091332 0.81 CA12 (0.39) JAK2JAK3GABRA1GABRB2ALOX5
SCHEMBL6091331 0.81 CA12 (0.39) JAK2JAK3GABRA1GABRB2ALOX5
SCHEMBL6090540 0.80 ALOX5 (0.46) GABRA1GABRB2ALOX5ABL1RET
SCHEMBL6090533 0.80 ALOX5 (0.46) GABRA1GABRB2ALOX5ABL1RET
SCHEMBL6091068 0.79 ABL1 (0.39) JAK2JAK3GABRA1GABRB2ABL1

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