SCHEMBL935655

SCHEMBL935655

Cc1cccc2cc(CCNc3ncnc4[nH]cnc34)n(C3CC3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.43
PIK3R1 P27986 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CG P48736 7/20 0.36
PIK3CB P42338 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
SCHEMBL935387 0.90 PIK3CD (0.43) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL21389745 0.88 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL9884008 0.83 PIK3CD (0.40) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL935884 0.83 PIK3R1 (0.44) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL935803 0.83 PIK3R1 (0.46) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL9884263 0.80 PIK3CD (0.55) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL955351 0.80 PIK3CD (0.55) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL955352 0.80 PIK3CD (0.55) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL9884274 0.77 PIK3R1 (0.42) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL936140 0.77 NPC1 (0.51) PIK3CD

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