SCHEMBL8801632

SCHEMBL8801632

NC(CS)C(=O)CNC1N=C(c2ccccc2)c2ccccc2N(CN2C=NN(c3ccccc3)N2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.40
KCNH2 Q12809 1/20 0.40
CCKAR P32238 3/20 0.40
SENP1 Q9P0U3 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8801634 0.81 CCKBR (0.41) CCKBRKCNH2CCKARHDAC3HDAC1
SCHEMBL8801839 0.78 CCKBR (0.50) CCKBRCCKAR
SCHEMBL8800232 0.76 OXTR (0.49) CCKBRKCNH2CCKAR
SCHEMBL8800784 0.74 CCKBR (0.46) CCKBRKCNH2CCKARSENP1
SCHEMBL8800767 0.74 CCKBR (0.44) CCKBRCCKAR
SCHEMBL8669120 0.73 CCKBR (0.44) CCKBRKCNH2CCKAR
SCHEMBL8801061 0.73 FNTA (0.46) CCKBRKCNH2CCKARHDAC3HDAC1
SCHEMBL8801333 0.72 FNTA (0.52) CCKBRCCKAR
SCHEMBL8674499 0.71 CCKBR (0.46) CCKBRKCNH2CCKARHDAC3HDAC1
SCHEMBL8674221 0.71 CCKBR (0.51) CCKBRKCNH2CCKARSENP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO claimed
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed