SCHEMBL5508446

SCHEMBL5508446

Cc1nc(CC(N)=O)sc1-c1cncc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.39
GPR52 Q9Y2T5 13/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
HTT P42858 1/20 0.36
F2 P00734 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
DDO Q99489 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
SCHEMBL48824 0.82 ALDH1A1 (0.46) GPR52ALDH1A1RAB9AL3MBTL1PIK3CD
SCHEMBL5509834 0.79 GPR52 (0.42) GPR52PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL925427 0.75 PIK3CG (0.56) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3638579 0.73 ALDH1A1 (0.54) GPR52ALDH1A1RAB9AL3MBTL1HTT
SCHEMBL6550116 0.70 GPR52 (0.52) GPR52ALDH1A1KDM4EMEN1LMNA
SCHEMBL31543990 0.66 PIK3CG (0.46) GPR52PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2835239 0.64 PIK3CG (0.64) ALDH1A1PIK3CGHTTKDM4EMEN1
SCHEMBL2091615 0.62 ALDH1A1 (0.50) ALDH1A1RAB9AL3MBTL1HTTF2
SCHEMBL2890226 0.62 F2 (0.39) ALDH1A1RAB9AL3MBTL1HTTF2
SCHEMBL5960416 0.62 ALDH1A1 (0.47) ALDH1A1RAB9AL3MBTL1HTTF2

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-1841763-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2007-10-10 EP disclosed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 WO disclosed