SCHEMBL6151150

SCHEMBL6151150

COc1ccc(Nc2ncc(Br)c(NCc3ccccc3S(N)(=O)=O)n2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.65
EGFR P00533 5/20 0.51
PTK2 Q05397 3/20 0.47
ULK1 O75385 3/20 0.47
ALK Q9UM73 1/20 0.45
IGF1R P08069 2/20 0.45
MAPT P10636 2/20 0.45
NTRK1 P04629 1/20 0.44

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
SCHEMBL6151152 0.81 ZAP70 (0.66) ZAP70EGFRPTK2ULK1ALK
SCHEMBL5291249 0.80 ALK (0.48) ZAP70EGFRPTK2ALKIGF1R
SCHEMBL1078874 0.80 PRKCQ (0.49) ZAP70PTK2ALKIGF1RMAPT
SCHEMBL5284485 0.80 ZAP70 (0.45) ZAP70EGFRPTK2ULK1ALK
SCHEMBL12856125 0.80 ZAP70 (0.81) ZAP70EGFRPTK2ULK1ALK
SCHEMBL375886 0.79 ZAP70 (1.00) ZAP70EGFRPTK2ULK1ALK
SCHEMBL1707654 0.77 ZAP70 (0.73) ZAP70EGFRPTK2ALK
SCHEMBL382125 0.76 EGFR (0.69) ZAP70EGFRALKIGF1R
SCHEMBL12780617 0.71 ZAP70 (0.68) ZAP70EGFRPTK2ULK1ALK
SCHEMBL12780619 0.70 ZAP70 (0.69) ZAP70EGFRPTK2ULK1ALK

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