SCHEMBL4752599

SCHEMBL4752599

CC(C)CN(CCCNC(=O)OC(C)(C)C)c1nc2c(sc3ncccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
TLR7 Q9NYK1 4/20 0.36
PDPK1 O15530 1/20 0.36
CCNB2 O95067 1/20 0.36
PRKCB P05771 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CCNA1 P78396 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
CYP3A4 P08684 2/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4101940 0.81 KIF11 (0.45) KIF11TLR7PDPK1CCNB2PRKCB
SCHEMBL4752600 0.81 KIF11 (0.42) KIF11TLR7PDPK1CCNB2PRKCB
SCHEMBL4753081 0.79 KIF11 (0.45) KIF11TLR7MEN1KMT2ARXFP1
SCHEMBL4753092 0.79 KIF11 (0.45) KIF11TLR7MEN1KMT2AKDM4E
SCHEMBL5248649 0.79 KIF11 (0.45) KIF11TLR7CYP3A4SIGMAR1
SCHEMBL5250049 0.76 KIF11 (0.43) KIF11NPSR1SIGMAR1
SCHEMBL4101670 0.72 PDE4A (0.46) TLR7RXFP1KDM4ENPSR1
SCHEMBL4750941 0.72 TP53 (0.44)
SCHEMBL4750935 0.70 TP53 (0.48) CYP3A4MEN1KMT2ARXFP1NPSR1
SCHEMBL5740657 0.70 KIF11 (0.46) KIF11TLR7MEN1KMT2ASIGMAR1

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
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed