SCHEMBL5510840

SCHEMBL5510840

CCCCOc1ccnc2ccc(C/C=C3\SC(NC(=O)O)=NC3=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.36
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BLK P51451 1/20 0.34
BMX P51813 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
ERBB4 Q15303 1/20 0.34
CISD1 Q9NZ45 1/20 0.32
PDPK1 O15530 5/20 0.32
HDAC1 Q13547 1/20 0.32
DDR2 Q16832 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 2/20 0.31
NPC1 O15118 1/20 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
SCHEMBL5506278 0.90 MET (0.36) METCISD1PDPK1DDR2KDM4E
SCHEMBL5506720 0.89 MET (0.33) METEGFRERBB2TECTXK
SCHEMBL5508606 0.85 PDGFRA (0.39) METEGFRERBB2TECTXK
SCHEMBL5513118 0.83 KMT2A (0.47) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL5519374 0.82 KDM1A (0.39) METEGFRMEN1KMT2A
SCHEMBL5509074 0.81 FLT3 (0.33) METCISD1PDPK1FLT3
SCHEMBL5518881 0.79 AAK1 (0.33) METCISD1PDPK1DDR2CSF1R
SCHEMBL5518997 0.77 PDGFRA (0.39) METEGFRERBB2TECTXK
SCHEMBL5502774 0.76 HTT (0.35) PDPK1MEN1KMT2AKDM4EMAPT
SCHEMBL3025813 0.76 EGFR (0.37) EGFRPDPK1

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
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed