SCHEMBL4615564

SCHEMBL4615564

CC(C)(C)OC(=O)NCc1ccc(CNC(=O)n2ccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP17A1 P05093 2/20 0.43
GAA P10253 1/20 0.43
BRD4 O60885 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP19A1 P11511 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29264682 0.86 NAMPT (0.47) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL10048209 0.81 KMT2A (0.50) NAMPTL3MBTL1MAPTTDP1CYP3A4
SCHEMBL27183822 0.81 SMN1; SMN2 (0.61) NAMPTMAPTNPSR1
SCHEMBL31458659 0.81 TDP1 (0.47) NAMPTL3MBTL1TDP1CYP17A1GAA
SCHEMBL9591695 0.81 RAB9A (0.51) NAMPTMAPTCYP19A1
SCHEMBL6255257 0.80 SMN1; SMN2 (0.44) MAPTGAACYP3A4CYP19A1
SCHEMBL24000994 0.80 NAMPT (0.47) NAMPTL3MBTL1MAPTGAA
SCHEMBL3180689 0.79 L3MBTL1 (0.61) NAMPTL3MBTL1MAPTTDP1GAA
SCHEMBL19851470 0.79 SMN1; SMN2 (0.40) CYP19A1CA1CA2
SCHEMBL31737685 0.79 CYP11B1 (0.46) NAMPTMAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed