SCHEMBL5284485

SCHEMBL5284485

COc1ccc(OCC2CCCN2C)cc1Nc1ncc(Br)c(NCc2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.45
EGFR P00533 5/20 0.43
IGF1R P08069 4/20 0.42
ALK Q9UM73 4/20 0.42
NTRK1 P04629 2/20 0.42
JAK3 P52333 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
ERBB2 P04626 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
SCHEMBL5284498 0.86 MAP4K1 (0.45) ZAP70EGFRIGF1RALKNTRK1
SCHEMBL5291249 0.85 ALK (0.48) ZAP70EGFRIGF1RALKNTRK1
SCHEMBL4096235 0.84 ZAP70 (0.65) ZAP70EGFRIGF1RALKNTRK1
SCHEMBL4100010 0.84 ZAP70 (0.65) ZAP70EGFRIGF1RALKNTRK1
SCHEMBL6151150 0.80 ZAP70 (0.65) ZAP70EGFRIGF1RALKNTRK1
SCHEMBL1078874 0.74 PRKCQ (0.49) ZAP70IGF1RALKNTRK1JAK3
SCHEMBL14735828 0.71 ALK (0.53) ALKAURKAJAK2METSRC
SCHEMBL5291264 0.71 ZAP70 (0.47) ZAP70EGFRIGF1RALKNTRK1
SCHEMBL19027797 0.70 ZAP70 (0.67) ZAP70EGFRIGF1RALKNTRK1
SCHEMBL4103366 0.70 ZAP70 (0.71) ZAP70EGFRIGF1RALKNTRK1

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-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP claimed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO claimed