SCHEMBL6744702

SCHEMBL6744702

Cc1[nH]c(C=O)c(C)c1CCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.42
HTR7 P34969 4/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1A P08908 3/20 0.37
HTR1D P28221 3/20 0.37
SLC6A2 P23975 1/20 0.37
HTR1E P28566 1/20 0.37
HTR5A P47898 1/20 0.37
CHEK1 O14757 3/20 0.34
KDR P35968 3/20 0.33
HTR1F P30939 3/20 0.32
HTR1B P28222 2/20 0.32
HTR4 Q13639 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 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
SCHEMBL4405794 0.91 SRC (0.35) HTR6HTR7HTR2AHTR2CHTR2B
SCHEMBL6088155 0.83 CYP3A4 (0.38) CHEK1
SCHEMBL6088559 0.83 KDR (0.46) HTR2AHTR2CCHEK1KDRFGFR1
SCHEMBL6091127 0.78 KDR (0.40) ADRA2AHTR1ASLC6A2CHEK1KDR
SCHEMBL6090987 0.78 CHEK1 (0.51) CHEK1KDRAURKARETFGFR1
SCHEMBL6088913 0.77 KDR (0.39) CHEK1KDRFGFR1PDGFRBPRKAA1
SCHEMBL6088742 0.76 KDM4E (0.46) CHEK1KDRAURKARETFGFR1
SCHEMBL6090420 0.75 CHEK1 (0.43) HTR2BCHEK1KDRAURKARET
SCHEMBL5358334 0.75 ALDH1A1 (0.39) CHEK1PDGFRB
SCHEMBL1981272 0.74 KDR (0.51) CHEK1KDRAURKARETFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed