SCHEMBL7893441

SCHEMBL7893441

CN(c1ncc(C(=O)NO)cn1)c1cc2nc(-c3cccc4[nH]ncc34)nc(NCCO)c2s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.41
PIK3CD O00329 11/20 0.38
PIK3CB P42338 10/20 0.38
PIK3CG P48736 10/20 0.38
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL1620360 0.88 HDAC3 (0.45) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL7712193 0.85 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL7713143 0.84 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL1622235 0.81 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL1283866 0.80 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL23634757 0.77 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL1284909 0.76 HDAC3 (0.45) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL1621989 0.75 HDAC3 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL1622304 0.75 HDAC3 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL25816099 0.75 HDAC3 (0.45) PIK3CAPIK3CDPIK3CBPIK3CGABCC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010080996-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2010-07-15 WO disclosed