SCHEMBL27635201

SCHEMBL27635201

[CH2]CCNc1nc(Cl)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 3/20 0.44
STK17A Q9UEE5 3/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IGF1R P08069 5/20 0.36
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
SIRT5 Q9NXA8 1/20 0.32
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
BTK Q06187 1/20 0.31
CA2 P00918 1/20 0.31
PDPK1 O15530 2/20 0.31
TBK1 Q9UHD2 2/20 0.31

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
SCHEMBL1774700 0.83 KMT2A (0.43) STK17BSTK17AKMT2AMEN1ALDH1A1
SCHEMBL3447092 0.83 KMT2A (0.50) STK17BSTK17AKMT2AMEN1ALDH1A1
SCHEMBL5151737 0.83 STK17A (0.50) STK17BSTK17AKMT2AMEN1ALDH1A1
SCHEMBL5152648 0.80 STK17B (0.45) STK17BSTK17AKMT2AMEN1ALDH1A1
SCHEMBL3715848 0.80 STK17A (0.61) STK17BSTK17AKMT2AMEN1
SCHEMBL3448808 0.79 MEN1 (0.47) STK17BSTK17AKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5154810 0.79 STK17A (0.60) STK17BSTK17AKMT2AMEN1
SCHEMBL4188949 0.79 KMT2A (0.47) STK17BSTK17AKMT2AMEN1L3MBTL1
SCHEMBL30367077 0.79 MEN1 (0.47) STK17BSTK17AKMT2AMEN1ALDH1A1
SCHEMBL5152523 0.79 STK17B (0.44) STK17BSTK17AKMT2AMEN1ALDH1A1

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