SCHEMBL12439402

SCHEMBL12439402

C=C(/C=C(\NN)C1CC1)Nc1cc(OCCN2CCCC2)nc(NCc2cc(C)no2)n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.58

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
SCHEMBL12438432 0.90 IGF1R (0.59) IGF1R
SCHEMBL12439404 0.85 IGF1R (0.57) IGF1R
SCHEMBL14161997 0.85 IGF1R (0.60) IGF1R
SCHEMBL14162073 0.77 IGF1R (0.58) IGF1R
SCHEMBL12438434 0.76 IGF1R (0.59) IGF1R
SCHEMBL14050351 0.76 IGF1R (0.58) IGF1R
SCHEMBL12438050 0.74 IGF1R (0.62) IGF1R
SCHEMBL4923964 0.73 IGF1R (1.00) IGF1R
SCHEMBL4558721 0.73 IGF1R (0.78) IGF1R
SCHEMBL14050359 0.73 IGF1R (0.40) 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-2008005538-A2 METHODS OF USING IGF1R AND ABL KINASE MODULATORS EXELIXIS, INC. (US) 2008-01-10 WO disclosed