SCHEMBL7128069

SCHEMBL7128069

CCOC(=O)c1cn(-c2ccccc2)c2cc(I)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.56
IRAK1 P51617 1/20 0.56
CAMK2B Q13554 1/20 0.56
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56
PIM3 Q86V86 1/20 0.56
NPC1 O15118 1/20 0.50
P2RX3 P56373 1/20 0.47
ROCK2 O75116 1/20 0.47
CDK1 P06493 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
CDK5 Q00535 1/20 0.47
PRKCD Q05655 1/20 0.47
ROCK1 Q13464 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10475280 0.86 P2RX3 (0.56) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL5101006 0.86 NR4A2 (0.59) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7122619 0.83 CAPN1 (0.52) ALDH1A1LMNAKDM4EHPGDNR4A2
SCHEMBL30417213 0.83 KMT2A (0.59) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL10472497 0.83 KMT2A (0.59) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL2998174 0.82 MAP2K2 (0.52) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL1431428 0.81 LMNA (0.63) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL31513796 0.79 NPC1 (0.60) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL10963972 0.79 ALDH1A1 (0.52) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7125756 0.79 LMNA (0.46) PIM1IRAK1CAMK2BCAMK2GCAMK2D

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