SCHEMBL14290282

SCHEMBL14290282

COc1ccc2ncc(CC(C)(C)N)n2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MET P08581 1/20 0.39
POLB P06746 1/20 0.38
RIPK2 O43353 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
CLK1 P49759 5/20 0.35
GGPS1 O95749 1/20 0.35
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
DYRK1A Q13627 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
FYN P06241 1/20 0.34
TGFBR1 P36897 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
SCHEMBL4714601 0.83 ALDH1A1 (0.40) PRMT5WDR77METPOLBRIPK2
SCHEMBL23108642 0.80 MET (0.42) PRMT5WDR77METPOLBIRAK4
SCHEMBL2264081 0.79 PRMT5 (0.40) PRMT5WDR77METPOLBCLK1
SCHEMBL23132918 0.77 CLK1 (0.40) PRMT5WDR77METPOLBIRAK4
SCHEMBL9797162 0.73 GGPS1 (0.61) GGPS1FDPSLMNAMAPTPKM
SCHEMBL17754847 0.72 IRAK4 (0.42) PRMT5WDR77RIPK2IRAK4CLK1
SCHEMBL19962292 0.70 IRAK4 (0.41) PRMT5WDR77IRAK4CLK1MAPT
SCHEMBL17759201 0.70 IRAK4 (0.39) PRMT5WDR77RIPK2IRAK4CLK1
SCHEMBL9941690 0.69 CLK1 (0.48) CLK1DYRK1ATGFBR1
SCHEMBL17677300 0.68 CYP3A4 (0.52) METPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448561-B1 BETA 3 ADRENERGIC AGONISTS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed