SCHEMBL12438581

SCHEMBL12438581

CO[N+](=O)c1c(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccccc2Cl)nc1C(=O)NC(C)C

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.64
PDE10A Q9Y233 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL15580713 0.92 IGF1R (0.66) IGF1RPDE10A
SCHEMBL4454739 0.91 IGF1R (0.76) IGF1RPDE10A
SCHEMBL12437988 0.90 IGF1R (0.62) IGF1RPDE10A
SCHEMBL15195821 0.87 IGF1R (0.58) IGF1RPDE10A
SCHEMBL12438520 0.83 IGF1R (0.67) IGF1R
SCHEMBL12438222 0.83 IGF1R (0.51) IGF1RLRRK2
SCHEMBL11344922 0.79 IGF1R (0.76) IGF1R
SCHEMBL4454742 0.79 IGF1R (0.62) IGF1R
SCHEMBL4454629 0.78 IGF1R (0.77) IGF1R
SCHEMBL11342777 0.78 IGF1R (0.77) 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 4 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-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed