SCHEMBL10304516

SCHEMBL10304516

CC(C)(C)OC(=O)N1C[C@H](Oc2ncnc3ccccc23)C[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
UCHL1 P09936 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
MCL1 Q07820 3/20 0.39

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
SCHEMBL14283018 1.00 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGUCHL1
SCHEMBL14283026 0.90 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGUCHL1
SCHEMBL10304592 0.90 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGUCHL1
SCHEMBL13385341 0.86 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGUCHL1
SCHEMBL2151292 0.86 UCHL1 (0.44) UCHL1MCL1
SCHEMBL2151286 0.86 UCHL1 (0.44) UCHL1MCL1
SCHEMBL7866789 0.84 HCRTR1 (0.47) PIK3CDUCHL1MCL1
SCHEMBL16470955 0.84 HCRTR1 (0.47) PIK3CDUCHL1MCL1
SCHEMBL374720 0.84 HCRTR1 (0.47) PIK3CDUCHL1MCL1
SCHEMBL14586202 0.84 HCRTR1 (0.47) PIK3CDUCHL1MCL1

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
EP-1863793-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-07-04 EP disclosed
US-7323447-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-29 US disclosed