SCHEMBL2442701

SCHEMBL2442701

FC(F)N1Cc2ccccc2C1c1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
PIK3CB P42338 5/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CD O00329 2/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CG P48736 2/20 0.38
MTOR P42345 2/20 0.38
PIK3C2B O00750 1/20 0.38
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2520544 0.77 PIK3CB (0.39) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL12802461 0.77 CTSL (0.42) PIK3CBPIK3CAPIK3CDPIK3CGALDH1A1
SCHEMBL4786599 0.68 CETP (0.58) L3MBTL1MAPTPIK3CBPIK3CAPIK3CD
SCHEMBL8801187 0.67 PIK3CA (0.47) L3MBTL1MAPTPIK3CAMTORPTGS2
SCHEMBL1308905 0.65 MAPT (0.61) L3MBTL1MAPTPIK3CAPIK3R1MTOR
SCHEMBL38827 0.65 MAPT (0.57) L3MBTL1MAPTPIK3CAPIK3R1MTOR
SCHEMBL14161647 0.64 MAPT (0.43) L3MBTL1MAPTPIK3CBPIK3CAPIK3CD
SCHEMBL14161664 0.64 MAPT (0.43) L3MBTL1MAPTPIK3CBPIK3CAPIK3CD
SCHEMBL29434918 0.63 PIK3CB (0.88) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477634 0.63 PIK3CB (0.88) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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-2547684-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2013-01-23 EP disclosed
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 WO disclosed