SCHEMBL3345531

SCHEMBL3345531

COc1cc(C2CC[N]CC2)ccc1Nc1ncc(C)c(-c2cnn3ccccc23)n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.66
CDK2 P24941 2/20 0.52
EGFR P00533 6/20 0.51
KCNH2 Q12809 5/20 0.48
ALK Q9UM73 2/20 0.46
INSR P06213 1/20 0.45
TNK2 Q07912 1/20 0.44

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
SCHEMBL2354282 0.91 IGF1R (0.74) IGF1RCDK2EGFRKCNH2ALK
SCHEMBL2350163 0.87 IGF1R (0.65) IGF1RCDK2EGFRKCNH2
SCHEMBL2352771 0.85 IGF1R (0.60) IGF1RCDK2EGFRKCNH2
SCHEMBL2348737 0.85 IGF1R (0.62) IGF1RCDK2EGFRKCNH2ALK
SCHEMBL2345514 0.85 IGF1R (0.60) IGF1RCDK2EGFRKCNH2
SCHEMBL3344728 0.85 IGF1R (0.83) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL3313052 0.85 IGF1R (0.67) IGF1RCDK2EGFRKCNH2ALK
SCHEMBL2347443 0.82 IGF1R (0.69) IGF1RCDK2EGFRKCNH2ALK
SCHEMBL3316462 0.82 IGF1R (0.62) IGF1RCDK2EGFRKCNH2ALK
SCHEMBL3311579 0.82 IGF1R (0.62) IGF1RCDK2EGFRKCNH2ALK

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 1 patent. 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 disclosed