SCHEMBL12439792

SCHEMBL12439792

C=C(/C=C(\NN)C1CC1)Nc1cc(N2CCOCC2)nc(NCc2cc(-c3ccncn3)no2)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.60

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
SCHEMBL14050387 0.78 IGF1R (0.61) IGF1R
SCHEMBL11347752 0.75 IGF1R (1.00) IGF1R
SCHEMBL12439872 0.74 IGF1R (0.58) IGF1R
SCHEMBL12438058 0.73 IGF1R (0.57) IGF1R
SCHEMBL12437973 0.73 IGF1R (0.60) IGF1R
SCHEMBL12439400 0.72 IGF1R (0.60) IGF1R
SCHEMBL12439395 0.72 IGF1R (0.60) IGF1R
SCHEMBL14050574 0.72 IGF1R (0.57) IGF1R
SCHEMBL14320029 0.72 IGF1R (0.57) IGF1R
SCHEMBL14050607 0.69 IGF1R (0.56) 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-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed