SCHEMBL5752976

SCHEMBL5752976

CC[C@](C)(c1nc(C)c(C(=O)OCc2ccccc2)c(=O)[nH]1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
SYK P43405 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
IDO1 P14902 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
BRD4 O60885 2/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 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
SCHEMBL4376315 0.79 KIF11 (0.53) KIF11POLBKMT2AMEN1BRD4
SCHEMBL4363442 0.78 KIF11 (0.54) KIF11POLBKMT2AMEN1BRD4
SCHEMBL13956813 0.71 KIF11 (0.60) KIF11
SCHEMBL16789588 0.68 HTT (0.58) L3MBTL1MAPTSYKPOLBMAPK1
SCHEMBL14491977 0.68 KIF11 (0.49) KIF11L3MBTL1MAPTKMT2AMEN1
SCHEMBL24897148 0.67 HTT (0.50) L3MBTL1MAPTSYKPOLBMAPK1
SCHEMBL25376272 0.67 HTT (0.50) L3MBTL1MAPTSYKPOLBMAPK1
SCHEMBL17872156 0.67 MAPT (0.56) L3MBTL1MAPTSYKPOLBMAPK1
SCHEMBL13956811 0.67 KIF11 (0.61) KIF11
SCHEMBL13480435 0.67 MAPT (0.65) L3MBTL1MAPTSYKPOLBMAPK1

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
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 WO disclosed