SCHEMBL6151152

SCHEMBL6151152

COc1ccc(Nc2ncc(Br)c(Nc3c(C)cccc3S(N)(=O)=O)n2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.66
EGFR P00533 7/20 0.56
ULK1 O75385 3/20 0.50
ALK Q9UM73 2/20 0.46
MAP4K1 Q92918 1/20 0.46
PTK2 Q05397 1/20 0.46
IGF1R P08069 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6151150 0.81 ZAP70 (0.65) ZAP70EGFRULK1ALKPTK2
SCHEMBL12856125 0.80 ZAP70 (0.81) ZAP70EGFRULK1ALKPTK2
SCHEMBL1078876 0.80 ALK (0.48) ZAP70EGFRALKPTK2IGF1R
SCHEMBL375886 0.80 ZAP70 (1.00) ZAP70EGFRULK1ALKPTK2
SCHEMBL5291264 0.80 ZAP70 (0.47) ZAP70EGFRULK1ALKMAP4K1
SCHEMBL5284498 0.80 MAP4K1 (0.45) ZAP70EGFRULK1ALKMAP4K1
SCHEMBL1707654 0.77 ZAP70 (0.73) ZAP70EGFRALKPTK2
SCHEMBL382126 0.75 EGFR (0.70) ZAP70EGFRALKIGF1R
SCHEMBL1080877 0.72 ULK1 (0.65) ZAP70EGFRULK1ALKIGF1R
SCHEMBL2717339 0.72 EGFR (1.00) EGFR

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-1606265-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2005-12-21 EP disclosed
WO-2004080980-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2004-09-23 WO disclosed