SCHEMBL935877

SCHEMBL935877

Cc1cccc2cc(CCNc3nc(N)ncc3Cl)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.41
PIK3R1 P27986 7/20 0.41
PIK3CG P48736 11/20 0.38
BCL6 P41182 1/20 0.38
PIK3CB P42338 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PIK3R2 O00459 2/20 0.36
TP53 P04637 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
SCHEMBL935687 0.91 PIK3CD (0.38) PIK3CDPIK3R1PIK3CGPIK3CBTP53
SCHEMBL14744075 0.84 PIK3CD (0.43) PIK3CDPIK3R1PIK3CGPIK3CBPIK3R2
SCHEMBL14743894 0.83 PIK3CD (0.42) PIK3CDPIK3R1PIK3CGPIK3CBPIK3R2
SCHEMBL14744225 0.82 PIK3CD (0.43) PIK3CDPIK3R1PIK3CGPIK3CBPIK3R2
SCHEMBL935114 0.81 PIK3CD (0.39) PIK3CDPIK3R1PIK3CGPIK3CBTP53
SCHEMBL4416463 0.80 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3R2
SCHEMBL31594490 0.80 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3R2
SCHEMBL4416459 0.80 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3R2
SCHEMBL15820628 0.79 PIK3CD (0.53) PIK3CDPIK3R1PIK3CGPIK3CBPIK3R2
SCHEMBL936006 0.78 PIK3CD (0.39) PIK3CDPIK3R1PIK3CGPIK3CBTP53

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