SCHEMBL14540211

SCHEMBL14540211

Cc1nc(-c2ccccc2OCc2ccccc2)cn(C2CCCN(C(=O)OCc3ccccc3)C2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LCK P06239 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4B Q07343 1/20 0.38
PIK3CD O00329 1/20 0.38
USP30 Q70CQ3 1/20 0.38
BRD4 O60885 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5168281 0.90 JAK2 (0.41) JAK2JAK1TYK2JAK3MEN1
SCHEMBL5168143 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3MEN1
SCHEMBL5163778 0.81 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL5164188 0.78 SMN1; SMN2 (0.45) JAK2JAK1TYK2JAK3MEN1
SCHEMBL14414801 0.76 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2PDE4BCYP2C19
SCHEMBL14540287 0.75 JAK2 (0.42) JAK2JAK1TYK2JAK3MEN1
SCHEMBL29641143 0.73 L3MBTL1 (0.55) JAK2JAK1TYK2JAK3MEN1
SCHEMBL20986848 0.72 SMN1; SMN2 (0.49) JAK2JAK1TYK2JAK3MEN1
SCHEMBL4512387 0.72 SMN1; SMN2 (0.51) JAK2JAK1TYK2JAK3MEN1
SCHEMBL12815027 0.71 SMN1; SMN2 (0.50) JAK2JAK1TYK2JAK3MEN1

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
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed