SCHEMBL4385559

SCHEMBL4385559

O=C(O)c1cc2sc(Cl)cc2c(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
PIK3CA P42336 7/20 0.44
PIK3R1 P27986 3/20 0.44
KMO O15229 1/20 0.42
POLB P06746 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAT2A P31153 1/20 0.38
TSHR P16473 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL4555187 0.89 HTT (0.43) CSNK2A2CSNK2BCSNK2A1PIK3CAPIK3R1
SCHEMBL1860764 0.80 NCF1 (0.45) PIK3CAPIK3R1POLBPIK3CBSMN1; SMN2
SCHEMBL4554179 0.80 KMO (0.47) PIK3CAPIK3R1KMOTSHREGLN1
SCHEMBL14954840 0.79 SMN1; SMN2 (0.40) PIK3CAPIK3R1POLBSMN1; SMN2MAT2A
SCHEMBL1864535 0.79 SMN1; SMN2 (0.38) PIK3CAPIK3R1POLBSMN1; SMN2MAT2A
SCHEMBL4565478 0.78 KDM4E (0.38) PIK3CAPIK3R1PIK3CBSMN1; SMN2MAT2A
SCHEMBL1858728 0.77 NPC1 (0.51) PIK3CAPIK3R1POLBPIK3CDPIK3CB
SCHEMBL4564369 0.77 SMN1; SMN2 (0.39) PIK3CAPIK3R1PIK3CDPIK3CBSMN1; SMN2
SCHEMBL1860558 0.76 SHMT2 (0.41) PIK3CAPIK3R1POLBSMN1; SMN2KDM4E
SCHEMBL3778364 0.76 SMN1; SMN2 (0.38) PIK3CAPIK3R1POLBSMN1; SMN2MAT2A

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-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed