SCHEMBL2520544

SCHEMBL2520544

C=CC(=O)N1CC2(C1)CN(c1nc(C3c4ccccc4CN3C(F)F)nc(N3CCOCC3)n1)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.39
PIK3CD O00329 17/20 0.39
PIK3CA P42336 13/20 0.39
PIK3CG P48736 10/20 0.39
PIK3R1 P27986 1/20 0.38
HTT P42858 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
SCHEMBL2442701 0.77 L3MBTL1 (0.38) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2442130 0.74 PIK3CD (0.69) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL30819019 0.72 JAK3 (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2442888 0.69 PIK3CA (0.62) PIK3CAPIK3R1
SCHEMBL30818736 0.68 JAK3 (0.49)
SCHEMBL12802461 0.67 CTSL (0.42) PIK3CBPIK3CDPIK3CAPIK3CGHTT
SCHEMBL30818936 0.67 JAK3 (0.46) PIK3CDPIK3CA
SCHEMBL2593015 0.64 PIK3CD (0.80) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL30818687 0.62 JAK3 (0.43)
SCHEMBL30818954 0.62 KMO (0.50) PIK3CAHTT

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