SCHEMBL2347439

SCHEMBL2347439

COc1cc(N2CCN(C(C)(C)C)CC2)ccc1Nc1ncc(C)c(-c2cnn3ccccc23)n1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.80
CDK2 P24941 3/20 0.65
EGFR P00533 4/20 0.49
KCNH2 Q12809 2/20 0.48
TNK2 Q07912 4/20 0.48

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
SCHEMBL3313873 0.92 IGF1R (0.74) IGF1RCDK2EGFRKCNH2
SCHEMBL3344728 0.90 IGF1R (0.83) IGF1RCDK2EGFRKCNH2TNK2
SCHEMBL3314176 0.89 IGF1R (1.00) IGF1RCDK2EGFRKCNH2
SCHEMBL2345579 0.88 IGF1R (0.84) IGF1RCDK2EGFRKCNH2
SCHEMBL2347583 0.87 IGF1R (0.76) IGF1RCDK2EGFRKCNH2TNK2
SCHEMBL13362109 0.86 IGF1R (0.75) IGF1RCDK2EGFRKCNH2
SCHEMBL3314030 0.85 IGF1R (0.85) IGF1RCDK2EGFRKCNH2
SCHEMBL3315412 0.84 IGF1R (0.72) IGF1RCDK2EGFRKCNH2
SCHEMBL2346737 0.83 IGF1R (0.75) IGF1RCDK2EGFRKCNH2
SCHEMBL2351818 0.82 IGF1R (1.00) IGF1RCDK2EGFRKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536728-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-12-26 EP disclosed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed