SCHEMBL845370

SCHEMBL845370

CCc1ccccc1C(=O)N1C[C@@H](N(C)C)C[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@H](N(C)C)CN3C(=O)c3ccccc3CC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
CFD P00746 1/20 0.36
MCHR1 Q99705 1/20 0.34
SMO Q99835 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 3/20 0.33
POLB P06746 2/20 0.33
NAMPT P43490 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EPHX2 P34913 1/20 0.33
THRB P10828 1/20 0.33
PABPC1 P11940 1/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32

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
SCHEMBL872515 0.91 PIK3CA (0.33) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL845096 0.85 TP53 (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL845439 0.83 ALDH1A1 (0.38) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL873619 0.81 TP53 (0.34) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL845429 0.80 CTSS (0.44) MCHR1MEN1KMT2APOLBNAMPT
SCHEMBL845131 0.80 PABPC1 (0.49) MEN1KMT2APABPC1
SCHEMBL845007 0.80 PABPC1 (0.49) MEN1KMT2APABPC1
SCHEMBL872636 0.79 POLB (0.33) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL845354 0.78 POLB (0.57) MEN1KMT2APOLB
SCHEMBL13272255 0.77 ALDH1A1 (0.33) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed