SCHEMBL14437205

SCHEMBL14437205

COc1ccnc2ccc(/C=C3\SC(N[C@@H](CO)c4ccccc4)=NC3=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
POLB P06746 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALOX5 P09917 4/20 0.38
FGFR2 P21802 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CD O00329 1/20 0.36
GAK O14976 1/20 0.36
RPS6KA4 O75676 1/20 0.36
STK10 O94804 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
MAP2K2 P36507 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
SCHEMBL13898543 0.93 MEN1 (0.42) EGFRMEN1KMT2APOLBALOX5
SCHEMBL13233381 0.93 MEN1 (0.42) EGFRMEN1KMT2APOLBALOX5
SCHEMBL14437258 0.93 MAPK1 (0.36) EGFRMEN1KMT2APOLBGRIN1
SCHEMBL14437218 0.87 HPGD (0.38) PIK3CDGAKRPS6KA4STK10PIM1
SCHEMBL5509030 0.86 EGFR (0.38) EGFRALOX5FGFR2
SCHEMBL14452559 0.85 IRAK4 (0.38) EGFRGRIN1GRIN2BALOX5FGFR2
SCHEMBL13955688 0.84 IRAK4 (0.37) EGFRALOX5FGFR2CISD1
SCHEMBL13955686 0.84 IRAK4 (0.44) EGFRKMT2APOLBALOX5FGFR2
SCHEMBL4871699 0.83 CDK1 (0.49) MEN1KMT2APOLBALOX5ALDH1A1
SCHEMBL4866405 0.83 CDK1 (0.49) MEN1KMT2APOLBALOX5ALDH1A1

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
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed