SCHEMBL3378394

SCHEMBL3378394

COc1cc(N2CCN(C(=O)C(C)O)CC2)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 16/20 0.84
CDK2 P24941 3/20 0.84
EGFR P00533 5/20 0.73
KCNH2 Q12809 8/20 0.72
CDK1 P06493 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
CDK8 P49336 1/20 0.60
CDK7 P50613 1/20 0.60
CDK9 P50750 1/20 0.60
INSR P06213 1/20 0.59

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
SCHEMBL2365358 1.00 IGF1R (0.84) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL2361496 1.00 IGF1R (0.84) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL3310169 0.94 IGF1R (0.83) IGF1RCDK2EGFRKCNH2CYP3A4
SCHEMBL2351237 0.91 IGF1R (1.00) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2345721 0.89 IGF1R (0.85) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2346628 0.89 EGFR (0.67) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL3349646 0.89 EGFR (0.67) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL3310189 0.89 EGFR (0.67) IGF1RCDK2EGFRKCNH2CDK1
SCHEMBL2346279 0.89 IGF1R (0.89) IGF1RCDK2EGFRKCNH2CYP3A4
SCHEMBL2342901 0.87 IGF1R (0.65) IGF1RCDK2EGFRKCNH2CDK1

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