SCHEMBL4248606

SCHEMBL4248606

Clc1nc(N2CCOCC2)c2scc(CBr)c2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
PIK3CA P42336 6/20 0.41
AR P10275 3/20 0.39
PIK3R1 P27986 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PIK3CD O00329 5/20 0.38
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL9937267 0.85 HTR2C (0.44) HTR2CPIK3CAARPIK3R1SMN1; SMN2
SCHEMBL1284337 0.84 PIK3CA (0.46) HTR2CPIK3CAARPIK3R1SMN1; SMN2
SCHEMBL4439753 0.80 HTR2C (0.45) HTR2CPIK3CAARPIK3R1SMN1; SMN2
SCHEMBL1181305 0.80 PIK3CA (0.60) HTR2CPIK3CAARPIK3R1SMN1; SMN2
SCHEMBL9937571 0.77 HTR2C (0.43) HTR2CPIK3CAARPIK3R1SMN1; SMN2
SCHEMBL4435238 0.75 HTR2C (0.74) HTR2CPIK3CAARSMN1; SMN2PIK3CD
SCHEMBL1181712 0.73 PIK3CA (0.45) PIK3CAPIK3R1SMN1; SMN2PIK3CDALOX15
SCHEMBL1858722 0.73 HTR2C (0.47) HTR2CPIK3CAARPIK3R1SMN1; SMN2
SCHEMBL4435243 0.73 HTR2C (0.53) HTR2CPIK3CAPIK3R1SMN1; SMN2PIK3CD
SCHEMBL190498 0.73 PIK3CA (0.56) PIK3CAPIK3R1SMN1; SMN2PIK3CD

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