SCHEMBL7120425

SCHEMBL7120425

CCOC(=O)c1cn(C2CCC(NC(=O)OC(C)(C)C)CC2)c2cc(I)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
ADRB2 P07550 1/20 0.40
JAK1 P23458 4/20 0.39
LMNA P02545 2/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RX3 P56373 1/20 0.35
JAK2 O60674 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL7120421 1.00 MAPK8 (0.42) MAPK8ADRB2JAK1LMNAPIK3CA
SCHEMBL7126732 0.88 MAPK8 (0.44) MAPK8JAK1LMNAPIK3CAMTOR
SCHEMBL7126740 0.88 MAPK8 (0.44) MAPK8JAK1LMNAPIK3CAMTOR
SCHEMBL7129697 0.83 KDM4E (0.46) ADRB2LMNAHPGDKDM4EALDH1A1
SCHEMBL7129782 0.82 KDM4E (0.48) ADRB2LMNAHPGDKDM4EALDH1A1
SCHEMBL7954575 0.79 ELANE (0.46) JAK1ALDH1A1JAK2
SCHEMBL3004100 0.79 LMNA (0.50) ADRB2LMNAHPGDKDM4EALDH1A1
SCHEMBL22859909 0.77 JAK1 (0.42) JAK1LMNAPIK3CAMTORPRKDC
SCHEMBL7512469 0.75 LMNA (0.58) ADRB2LMNAPIK3CAHPGDKDM4E
SCHEMBL9148070 0.75 ADRB2 (0.50) ADRB2LMNAHPGDKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed