SCHEMBL1080875

SCHEMBL1080875

COc1cc(N2CCOCC2)ccc1Nc1ncc(Br)c(Nc2ccc(CF)cc2S(N)(=O)=O)n1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.70
▸ ZAP70 P43403 4/20 0.59
▸ ALK Q9UM73 6/20 0.59
▸ INSR P06213 5/20 0.59
▸ EGFR P00533 2/20 0.58
▸ LRRK2 Q5S007 3/20 0.57
▸ GSK3A P49840 1/20 0.57
▸ MAPK15 Q8TD08 1/20 0.57
▸ CAMKK2 Q96RR4 1/20 0.57
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ TTK P33981 1/20 0.52
▸ IGF1R P08069 1/20 0.52

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
SCHEMBL1080877 0.83 ULK1 (0.65) ULK1ZAP70ALKINSREGFR
SCHEMBL375362 0.82 ULK1 (0.83) ULK1ZAP70ALKINSREGFR
SCHEMBL375608 0.82 ULK1 (1.00) ULK1ZAP70ALKINSREGFR
SCHEMBL29900883 0.82 ULK1 (1.00) ULK1ZAP70ALKINSREGFR
SCHEMBL12780549 0.82 ULK1 (0.84) ULK1ZAP70ALKINSREGFR
SCHEMBL12312367 0.81 ULK1 (0.81) ULK1ZAP70ALKINSREGFR
SCHEMBL12781809 0.81 ULK1 (0.82) ULK1ZAP70ALKINSREGFR
SCHEMBL12780191 0.80 ULK1 (0.81) ULK1ZAP70ALKINSREGFR
SCHEMBL3769118 0.79 ULK1 (0.66) ULK1ZAP70ALKINSREGFR
SCHEMBL1911986 0.79 ULK1 (0.75) ULK1ZAP70ALKINSREGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 — — EP disclosed
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