SCHEMBL7128784

SCHEMBL7128784

CCOC(=O)c1cn(C(C)(C)CC(C)(C)C)c2cc(I)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PIM1 P11309 1/20 0.41
IRAK1 P51617 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
PIM3 Q86V86 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
P2RX3 P56373 1/20 0.39
ROCK2 O75116 1/20 0.39
CDK1 P06493 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCD Q05655 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
MARK2 Q7KZI7 1/20 0.39

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
SCHEMBL7125756 0.89 LMNA (0.46) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL7128889 0.85 LMNA (0.37) LMNATDP1KMT2AKDM4EALDH1A1
SCHEMBL2998174 0.80 MAP2K2 (0.52) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL4141613 0.80 LMNA (0.52) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL1431428 0.79 LMNA (0.63) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL3003412 0.77 LMNA (0.46) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL7120371 0.77 LMNA (0.52) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL7128946 0.77 LMNA (0.52) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL7124395 0.76 LMNA (0.51) LMNAPIM1IRAK1CAMK2BCAMK2G
SCHEMBL7128069 0.76 PIM1 (0.56) LMNAPIM1IRAK1CAMK2BCAMK2G

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 2 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