SCHEMBL12439829

SCHEMBL12439829

Fc1ccc(C2=NOC(CNc3nc(Nc4cc(C5CC5)n[nH]4)cc(N4CCOCC4)n3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.52
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL4461457 0.81 IGF1R (0.78) IGF1R
SCHEMBL14050575 0.78 IGF1R (0.53) IGF1RJAK3JAK2
SCHEMBL12438433 0.77 IGF1R (0.55) IGF1RAURKAAURKB
SCHEMBL14050704 0.77 IGF1R (0.48) IGF1RAURKAAURKB
SCHEMBL14311627 0.77 IGF1R (0.51) IGF1RJAK3JAK2AURKAAURKB
SCHEMBL14310345 0.77 IGF1R (0.44) IGF1RAURKAAURKB
SCHEMBL14310347 0.76 IGF1R (0.46) IGF1RJAK3JAK2AURKAAURKB
SCHEMBL14320002 0.76 IGF1R (0.49) IGF1RJAK3JAK2AURKAAURKB
SCHEMBL12439393 0.74 IGF1R (0.49) IGF1RAURKAAURKB
SCHEMBL14050458 0.74 IGF1R (0.48) IGF1RJAK3JAK2AURKAAURKB

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