SCHEMBL4457876

SCHEMBL4457876

O=C(N[C@@H]1CCN(C(=O)O)C1)c1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.61
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
SYK P43405 1/20 0.43

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
SCHEMBL4458204 0.92 IGF1R (0.62) IGF1RAURKAAURKB
SCHEMBL11341564 0.89 IGF1R (0.78) IGF1RAURKAAURKB
SCHEMBL4464176 0.88 IGF1R (0.75) IGF1RAURKAAURKB
SCHEMBL4458845 0.84 IGF1R (0.74) IGF1RAURKAAURKBSYK
SCHEMBL11340316 0.82 IGF1R (0.79) IGF1R
SCHEMBL4466607 0.81 IGF1R (0.70) IGF1RSYK
SCHEMBL12439838 0.80 IGF1R (0.66) IGF1RAURKAAURKB
SCHEMBL11342847 0.80 IGF1R (0.74) IGF1RAURKAAURKBSYK
SCHEMBL4464484 0.79 IGF1R (0.74) IGF1RAURKAAURKB
SCHEMBL11339853 0.78 IGF1R (0.68) IGF1R

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed