SCHEMBL12439860

SCHEMBL12439860

C=C(/C=C(/CNc1nc(Nc2cc(C3CC3)n[nH]2)cc(OCCN2CCCC2)n1)ON)CC

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.47
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL12438267 0.87 IGF1R (0.46) IGF1R
SCHEMBL12438114 0.83 IGF1R (0.48) IGF1R
SCHEMBL12438590 0.82 IGF1R (0.43) IGF1R
SCHEMBL14050427 0.81 IGF1R (0.51) IGF1R
SCHEMBL14320036 0.80 IGF1R (0.45) IGF1R
SCHEMBL12438489 0.78 IGF1R (0.61) IGF1R
SCHEMBL4556921 0.77 IGF1R (0.76) IGF1R
SCHEMBL12438098 0.75 IGF1R (0.46) IGF1R
SCHEMBL4457351 0.73 IGF1R (0.77) IGF1R
SCHEMBL12438467 0.73 IGF1R (0.48) IGF1R

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-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 WO disclosed