SCHEMBL14975665

SCHEMBL14975665

Cc1ccc([C@H](CNC(=O)OC(C)(C)C)C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SERPINE1 P05121 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5669913 0.87 CTSK (0.49) AAK1SYKMAPTCA12CA1
SCHEMBL2798709 0.87 PPARG (0.44) AAK1SYKMAPTTDP1PPARG
SCHEMBL2796410 0.86 L3MBTL1 (0.47) AAK1SYKMAPTTDP1PPARG
SCHEMBL16935724 0.84 CTSS (0.42) AAK1SYKTDP1CA12CA1
SCHEMBL1287150 0.83 NPC1 (0.46) MAPTPPARGPPARAMEN1GAA
SCHEMBL20474086 0.83 NPC1 (0.46) MAPTPPARGPPARAMEN1GAA
SCHEMBL12817338 0.81 ACHE (0.44) AAK1SYKMAPTTDP1PPARG
SCHEMBL23522314 0.80 LMNA (0.44) MAPTTDP1CA12CA1CA2
SCHEMBL30771304 0.78 SYK (0.41) AAK1SYKMAPTPPARGPPARA
SCHEMBL6679064 0.77 AAK1 (0.42) AAK1SYKSERPINE1CA12CA1

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-2782917-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Cancer Research Technology Limited (GB) 2014-10-01 EP disclosed
WO-2013078126-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-05-30 WO disclosed