SCHEMBL4039832

SCHEMBL4039832

CCC(NCCNC(=O)OC(C)(C)C)c1nc2snc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
KIF23 Q02241 1/20 0.47
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SYK P43405 1/20 0.35
GNRHR P30968 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
MALT1 Q9UDY8 1/20 0.35
IDO1 P14902 1/20 0.35
AKT1 P31749 1/20 0.35
BRD4 O60885 1/20 0.34
P2RX7 Q99572 1/20 0.34
CXCR2 P25025 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
SCHEMBL3871323 0.95 KIF11 (0.49) KIF11KIF23KDM4EGAAMAPT
SCHEMBL5899029 0.90 KIF11 (0.47) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4057634 0.89 KIF11 (0.51) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4060625 0.86 KIF11 (0.41) KIF11KIF23MAPTNPSR1GNRHR
SCHEMBL3866928 0.85 KIF11 (0.52) KIF11KIF23
SCHEMBL3863849 0.84 KIF11 (0.49) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4039243 0.83 KIF11 (0.53) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4036178 0.82 KIF11 (0.46) KIF11KIF23BRD4
SCHEMBL4046310 0.81 KIF11 (0.53) KIF11KIF23KDM4EGAAMAPT
SCHEMBL3867071 0.81 KIF11 (0.59) KIF11KIF23KDM4EGAAMAPT

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
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed