SCHEMBL4458204

SCHEMBL4458204

O=C(N[C@H]1CCN(C(=O)O)C1)c1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.62
NTRK1 P04629 3/20 0.48
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL4457876 0.92 IGF1R (0.61) IGF1RAURKAAURKB
SCHEMBL11340316 0.90 IGF1R (0.79) IGF1RNTRK1NTRK3NTRK2
SCHEMBL4458462 0.85 IGF1R (0.75) IGF1RNTRK1NTRK3NTRK2
SCHEMBL12439772 0.82 IGF1R (0.67) IGF1RNTRK1NTRK3NTRK2
SCHEMBL4470599 0.82 IGF1R (0.72) IGF1RCDK19ALK
SCHEMBL11341564 0.81 IGF1R (0.78) IGF1RAURKAAURKB
SCHEMBL14320030 0.81 IGF1R (0.67) IGF1RNTRK1NTRK3NTRK2
SCHEMBL11342893 0.81 IGF1R (0.75) IGF1RNTRK1NTRK3NTRK2CDK19
SCHEMBL4464176 0.80 IGF1R (0.75) IGF1RAURKAAURKB
SCHEMBL12438499 0.80 IGF1R (0.61) IGF1RNTRK1CDK19ALK

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
EP-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed