SCHEMBL27635199

SCHEMBL27635199

O=C(O)CCNc1nc(Cl)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 4/20 0.46
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
STK17B O94768 2/20 0.40
STK17A Q9UEE5 2/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
APEX1 P27695 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHBP P24387 1/20 0.34

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
SCHEMBL3450121 0.87 STK17B (0.40) SIRT5KMT2AMEN1STK17BSTK17A
SCHEMBL28216784 0.84 STK17A (0.53) SIRT5KMT2AMEN1CA12CA1
SCHEMBL17595892 0.84 STK17A (0.41) SIRT5KMT2AMEN1STK17BSTK17A
SCHEMBL1774700 0.81 KMT2A (0.43) KMT2AMEN1CA12CA1CA2
SCHEMBL3873064 0.80 STK17B (0.53) SIRT5KMT2AMEN1STK17BSTK17A
SCHEMBL25231087 0.79 JAK3 (0.43) SIRT5KMT2ACA12CA1CA2
SCHEMBL1774178 0.79 GLP1R (0.45) KMT2AMEN1CA12CA9CA14
SCHEMBL13649013 0.79 STK17B (0.46) SIRT5KMT2AMEN1CA12CA1
SCHEMBL27087775 0.78 KMT2A (0.46) SIRT5KMT2ASTK17BSTK17AKDM4E
SCHEMBL30800589 0.78 KMT2A (0.46) SIRT5KMT2ASTK17BSTK17AKDM4E

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
CN-1717396-A Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2006-01-04 CN disclosed