SCHEMBL5284498

SCHEMBL5284498

COc1ccc(OC[C@@H]2CCCN2C)cc1Nc1ncc(Br)c(Nc2c(C)cccc2S(N)(=O)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.45
ZAP70 P43403 4/20 0.45
EGFR P00533 4/20 0.43
IGF1R P08069 3/20 0.43
ALK Q9UM73 2/20 0.43
CHEK1 O14757 3/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 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
NTRK1 P04629 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
SCHEMBL5284485 0.86 ZAP70 (0.45) MAP4K1ZAP70EGFRIGF1RALK
SCHEMBL5291264 0.85 ZAP70 (0.47) MAP4K1ZAP70EGFRIGF1RALK
SCHEMBL4096235 0.84 ZAP70 (0.65) MAP4K1ZAP70EGFRIGF1RALK
SCHEMBL4100010 0.84 ZAP70 (0.65) MAP4K1ZAP70EGFRIGF1RALK
SCHEMBL6151152 0.80 ZAP70 (0.66) MAP4K1ZAP70EGFRIGF1RALK
SCHEMBL1078876 0.73 ALK (0.48) ZAP70EGFRIGF1RALKCHEK1
SCHEMBL14735829 0.71 ALK (0.54) ALKAURKAMETAXLAURKB
SCHEMBL5291249 0.71 ALK (0.48) MAP4K1ZAP70EGFRIGF1RALK
SCHEMBL1912110 0.70 ZAP70 (0.69) ZAP70EGFRIGF1RALKCHEK1
SCHEMBL12729336 0.69 ZAP70 (0.68) ZAP70EGFRIGF1RALKCHEK1

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