SCHEMBL5247377

SCHEMBL5247377

COC(=O)c1cc(CBr)cc(CC(C)C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5505769 0.84 CA1 (0.53) SLC7A5HSD17B10CA12CA1CA2
SCHEMBL5506080 0.83 SLC7A5 (0.46) SLC7A5HSD17B10CA12CA1CA2
SCHEMBL455338 0.82 CA12 (0.52) SLC7A5CA12CA1CA2CA7
SCHEMBL2859259 0.79 SLC7A5 (0.60) SLC7A5LOXL2KDM4ECYP4F2CYP4A11
SCHEMBL4652534 0.78 CA12 (0.52) SLC7A5HSD17B10CA12CA1CA2
SCHEMBL5264624 0.78 SLC7A5 (0.39) SLC7A5HSD17B10CA12CA1CA2
SCHEMBL30668204 0.77 MRGPRX4 (0.43) SLC7A5CA12CA1CA2CA7
SCHEMBL20721011 0.77 MRGPRX4 (0.43) SLC7A5CA12CA1CA2CA7
SCHEMBL5507004 0.76 LMNA (0.53) SLC7A5LMNAHPGDMRGPRX4
SCHEMBL5803657 0.76 SLC7A5 (0.36) SLC7A5HSD17B10CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1789399-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed