SCHEMBL935114

SCHEMBL935114

Cc1cccc2cc(CCNc3nc(N)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.39
PIK3R1 P27986 10/20 0.38
PIK3CA P42336 5/20 0.38
NUDT1 P36639 1/20 0.37
PIK3CG P48736 7/20 0.37
PIK3CB P42338 5/20 0.36
ABCB11 O95342 1/20 0.36
TBXA2R P21731 1/20 0.36
HTR2A P28223 1/20 0.36
PDE3A Q14432 1/20 0.36
TP53 P04637 1/20 0.33

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
SCHEMBL935484 0.90 PIK3R1 (0.41) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL936006 0.90 PIK3CD (0.39) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL935884 0.90 PIK3R1 (0.44) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL5607754 0.84 PIK3CD (0.48) PIK3CDPIK3R1PIK3CANUDT1PIK3CG
SCHEMBL935877 0.81 PIK3CD (0.41) PIK3CDPIK3R1PIK3CGPIK3CBTP53
SCHEMBL5607763 0.81 PIK3CD (0.47) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL31594549 0.81 PIK3CD (0.53) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL4414622 0.81 PIK3CD (0.53) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL4414626 0.81 PIK3CD (0.53) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL935803 0.81 PIK3R1 (0.46) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB

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-2456444-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2012-05-30 EP disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 WO disclosed