SCHEMBL3345396

SCHEMBL3345396

COc1cc(N2CC[N]CC2)ccc1Nc1ncc(Br)c(-c2cnc3ccccn23)n1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.79
CDK2 P24941 7/20 0.79
KCNH2 Q12809 10/20 0.68
INSR P06213 1/20 0.65

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
SCHEMBL3313416 0.92 IGF1R (0.81) IGF1RCDK2KCNH2INSR
SCHEMBL3345458 0.90 IGF1R (0.79) IGF1RCDK2KCNH2INSR
SCHEMBL3313628 0.88 IGF1R (1.00) IGF1RCDK2KCNH2INSR
SCHEMBL3315074 0.87 IGF1R (0.83) IGF1RCDK2KCNH2INSR
SCHEMBL3313812 0.84 IGF1R (0.69) IGF1RCDK2KCNH2INSR
SCHEMBL3312137 0.83 IGF1R (0.86) IGF1RCDK2KCNH2INSR
SCHEMBL3314795 0.83 IGF1R (0.81) IGF1RCDK2KCNH2INSR
SCHEMBL3316846 0.83 IGF1R (0.86) IGF1RCDK2KCNH2INSR
SCHEMBL3352092 0.82 IGF1R (0.67) IGF1RCDK2KCNH2INSR
SCHEMBL3315961 0.82 IGF1R (0.83) IGF1RCDK2KCNH2INSR

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO claimed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed